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Inherent Properties, Identifiers and References
ChemSpider ID: 4524757
Empirical Formula: C14H22O
Molecular Weight: 206.3239
Nominal Mass: 206 Da
Average Mass: 206.3239 Da
Monoisotopic Mass: 206.167065 Da
Systematic Name: (1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one
SMILES: O=C(\C=C\C1=C(\CCCC1(C)C)C)CC Copy
InChI: InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7​,10H2,1-4H3/b9-8+ Copy
InChIKey: LMWNGLDCJDIIBR-CMDGGOBGBW
Std. InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-​7,10H2,1-4H3/b9-8+ Copy
Std. InChIKey: LMWNGLDCJDIIBR-CMDGGOBGSA-N
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