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(+/-)-7-BETA-(2-ACETOXY-1-ALPHA-METHYLETHYL)-4-BETA-METHYL-2-CYCLOHEPTEN-1-ONE
SpectraBase Compound ID LKSf9UzeJSE
InChI InChI=1S/C13H20O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12H,4,6,8H2,1-3H3/t9-,10+,12-/m0/s1
InChIKey KEKMYKKTXMFFCR-UMNHJUIQSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaZDjyktS2Y
Name (+-)-7.beta.-(2-Acetoxy-1.beta.-methylethyl)-4-.beta.-methyl-2-cyclohepten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12H,4,6,8H2,1-3H3/t9-,10+,12-/m0/s1
InChIKey KEKMYKKTXMFFCR-UMNHJUIQSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C=C[C@@](C)(CC[C@]1([C@@](COC(=O)C)(C)[H])[H])[H])=O
SPLASH splash10-00di-0900000000-bcc7d3817128e10f3e4a
Source of Spectrum J-63-927-21
Synonyms 2-[(1S,5S)-5-methyl-2-oxo-3-cyclohepten-1-yl]propyl acetate Acetic acid[(2S)-2-[(1S,5S)-2-keto-5-methyl-cyclohept-3-en-1-yl]propyl]ester Acetic acid[(2S)-2-[(1S,5S)-5-methyl-2-oxo-1-cyclohept-3-enyl]propyl]ester [(2S)-2-[(1S,5S)-5-methyl-2-oxidanylidene-cyclohept-3-en-1-yl]propyl]ethanoate [(2S)-2-[(1S,5S)-5-methyl-2-oxo-cyclohept-3-en-1-yl]propyl]acetate Acetic acid [(2S)-2-[(1S,5S)-5-methyl-2-oxo-1-cyclohept-3-enyl]propyl] ester [(2S)-2-[(1S,5S)-5-methyl-2-oxocyclohept-3-en-1-yl]propyl] acetate [(2S)-2-[(1S,5S)-5-methyl-2-oxo-cyclohept-3-en-1-yl]propyl] acetate [(2S)-2-[(1S,5S)-5-methyl-2-oxidanylidene-cyclohept-3-en-1-yl]propyl] ethanoate
Wiley ID 1225398