2-Methylcyclohexan-1,3-dione

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Systematic / IUPAC Name: 2-Methyl-1,3-cyclohexanedione

ID: Reference1189

Other Names: 1,3-Dimethylcycloadipic ketone;
1,3-Cyclohexanedione, 2-methyl-

Formula: C7H10O2

Spectral Data

2-Methylcyclohexan-1,3-dione 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 77
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/21/2015 2:01:37 PM
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Identificators

InChI InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
InChI Key VSGJHHIAMHUZKF-UHFFFAOYSA-N
Canonical SMILES CC1C(=O)CCCC1=O
CAS 1193551
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Other Names 1,3-Dimethylcycloadipic ketone;
1,3-Cyclohexanedione, 2-methyl-

In Other Databases

PubChem 70945
ChemSpider 64107
ChEMBL CHEMBL191688
ChemIDPlus 001193551