Butanedioic acid, methyl-, bis(1-methylpropyl) ester (Q115947996)

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group of stereoisomers with the chemical formula C₁₃H₂₄O₄

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Language	Label	Description	Also known as
English	Butanedioic acid, methyl-, bis(1-methylpropyl) ester	group of stereoisomers with the chemical formula C₁₃H₂₄O₄

Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

244.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₄O₄

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canonical SMILES

O=C(OC(C)CC)CC(C(=O)OC(C)CC)C

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found in taxon

Nicotiana tabacum

1 reference

stated in

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

Identifiers

InChI

InChI=1S/C13H24O4/c1-6-10(4)16-12(14)8-9(3)13(15)17-11(5)7-2/h9-11H,6-8H2,1-5H3

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InChIKey

YJJLDYAUGTVVPM-UHFFFAOYSA-N

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PubChem CID

575332

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stated in

PubChem

retrieved

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YJJLDYAUGTVVPM-UHFFFAOYSA-N

UniChem compound ID

34417332

1 reference

stated in

UniChem

KNApSAcK ID

C00062284

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YJJLDYAUGTVVPM-UHFFFAOYSA-N

 

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