6-Methyl-5-(3-methylphenyl)heptan-2-one (Q82815908)

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chemical compound

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Language	Label	Description	Also known as
English	6-Methyl-5-(3-methylphenyl)heptan-2-one	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

218.167065324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O

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canonical SMILES

O=C(C)CCC(C=1C=CC=C(C1)C)C(C)C

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found in taxon

Hamamelis virginiana

1 reference

stated in

Study on the composition of the volatile fraction of Hamamelis virginiana

Identifiers

InChI

InChI=1S/C15H22O/c1-11(2)15(9-8-13(4)16)14-7-5-6-12(3)10-14/h5-7,10-11,15H,8-9H2,1-4H3

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InChIKey

QXLOPTJHHYNTTF-UHFFFAOYSA-N

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CAS Registry Number

88134-23-0

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PubChem CID

71410605

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

QXLOPTJHHYNTTF-UHFFFAOYSA-N

UniChem compound ID

52751536

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID70830270

1 reference

matched by identifier from

InChIKey

InChIKey

QXLOPTJHHYNTTF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID30781012

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