Pulegone

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Systematic / IUPAC Name: 2-Isopropylidene-5-methylcyclohexanone

ID: Reference1258

Other Names: Cyclohexanone, 5-methyl-2-(1-methylethylidene)-;
5-Methyl-2-(1-methylethylidene)cyclohexanone;
1-Isopropylidene-4-methyl-2-cyclohexanone;
1-Methyl-4-isopropylidene-3-cyclohexanone;
5-Methyl-2-(propan-2-ylidene)cyclohexan-1-one ; more

Formula: C10H16O

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Pulegone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 1:24:21 PM
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Identificators

InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
InChI Key NZGWDASTMWDZIW-UHFFFAOYSA-N
Canonical SMILES CC1CCC(=C(C)C)C(=O)C1
CAS 15932806
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Other Names Cyclohexanone, 5-methyl-2-(1-methylethylidene)-;
5-Methyl-2-(1-methylethylidene)cyclohexanone;
1-Isopropylidene-4-methyl-2-cyclohexanone;
1-Methyl-4-isopropylidene-3-cyclohexanone;
5-Methyl-2-(propan-2-ylidene)cyclohexan-1-one;
β-Pulegone;
δ-4,8-p-Menthen-3-one

In Other Databases

ChemIDPlus 000089827; 015932806
Wikipedia Pulegone
PubChem 6988
ChEMBL CHEMBL1898498
ChemSpider 6722
ChEBI CHEBI:26381