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Acetic Acid (+-)-(1.alpha.,3.beta.,4.beta.,6.alpha.,7.alpha.)-7-(3-Oxobutyl)-4-(2-oxoethyl)-1-methylbicyclo[4.1.0]hept-3-yl Ester

View entire compound with spectra: 1 MS (GC)

Acetic Acid (+-)-(1.alpha.,3.beta.,4.beta.,6.alpha.,7.alpha.)-7-(3-Oxobutyl)-4-(2-oxoethyl)-1-methylbicyclo[4.1.0]hept-3-yl Ester
SpectraBase Compound ID 2O7GgyXaKVy
InChI InChI=1S/C16H24O4/c1-10(18)4-5-13-14-8-12(6-7-17)15(20-11(2)19)9-16(13,14)3/h7,12-15H,4-6,8-9H2,1-3H3/t12-,13-,14-,15+,16+/m0/s1
InChIKey XQENYZYWTFQVGR-RFBLXINOSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lAUI9JCEQF
Name Acetic Acid (+-)-(1.alpha.,3.beta.,4.beta.,6.alpha.,7.alpha.)-7-(3-Oxobutyl)-4-(2-oxoethyl)-1-methylbicyclo[4.1.0]hept-3-yl Ester
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Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-10(18)4-5-13-14-8-12(6-7-17)15(20-11(2)19)9-16(13,14)3/h7,12-15H,4-6,8-9H2,1-3H3/t12-,13-,14-,15+,16+/m0/s1
InChIKey XQENYZYWTFQVGR-RFBLXINOSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]12([C@](C[C@@]([C@@](C2)(OC(=O)C)[H])(CC=O)[H])([H])[C@@]1(CCC(=O)C)[H])C
SPLASH splash10-014i-0900000000-da70d373fdd8bb3751aa
Source of Spectrum J-60-4195-46
Synonyms (1R,3R,4R,6S,7S)-1-methyl-7-(3-oxobutyl)-4-(2-oxoethyl)bicyclo[4.1.0]hept-3-yl acetate Acetic acid[(1R,3R,4R,6S,7S)-7-(3-ketobutyl)-4-(2-ketoethyl)-1-methyl-norcaran-3-yl]ester Acetic acid[(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxobutyl)-3-(2-oxoethyl)-4-bicyclo[4.1.0]heptanyl]ester [(1R,3R,4R,6S,7S)-1-methyl-7-(3-oxobutyl)-4-(2-oxoethyl)norcaran-3-yl]acetate [(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxidanylidenebutyl)-3-(2-oxidanylideneethyl)-4-bicyclo[4.1.0]heptanyl]ethanoate [(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxobutyl)-3-(2-oxoethyl)-4-bicyclo[4.1.0]heptanyl]acetate Acetic acid [(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxobutyl)-3-(2-oxoethyl)-4-bicyclo[4.1.0]heptanyl] ester [(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxobutyl)-3-(2-oxoethyl)-4-bicyclo[4.1.0]heptanyl] acetate [(1R,3R,4R,6S,7S)-1-methyl-7-(3-oxobutyl)-4-(2-oxoethyl)norcaran-3-yl] acetate [(1S,3R,4R,6R,7S)-6-methyl-7-(3-oxidanylidenebutyl)-3-(2-oxidanylideneethyl)-4-bicyclo[4.1.0]heptanyl] ethanoate
Wiley ID 1284012