2-Cyclohexen-1-one, 3,6,6-trimethyl- (Q83048339)

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chemical compound

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Language	Label	Description	Also known as
English	2-Cyclohexen-1-one, 3,6,6-trimethyl-	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

138.104465068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄O

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canonical SMILES

CC1=CC(=O)C(CC1)(C)C

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found in taxon

Ceratophyllum demersum

1 reference

stated in

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

Identifiers

InChI

InChI=1S/C9H14O/c1-7-4-5-9(2,3)8(10)6-7/h6H,4-5H2,1-3H3

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InChIKey

DKUDUXARZQESDM-UHFFFAOYSA-N

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CAS Registry Number

23438-77-9

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PubChem CID

141033

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matched by identifier from

InChIKey

InChIKey

DKUDUXARZQESDM-UHFFFAOYSA-N

UniChem compound ID

27113924

1 reference

stated in

UniChem

NMRShiftDB structure ID

20181056

1 reference

matched by identifier from

InChIKey

InChIKey

DKUDUXARZQESDM-UHFFFAOYSA-N

DSSTox substance ID

DTXSID10177994

1 reference

matched by identifier from

InChIKey

InChIKey

DKUDUXARZQESDM-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID70100485

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NSC number

246156

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KNApSAcK ID

C00060962

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DKUDUXARZQESDM-UHFFFAOYSA-N

 

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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