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(1R*,5R*,6S*)-Acetic acid (6-chloro-6-methyl-7-oxobicyclo[3.2.0]hept-3-en-2-ylidene)methyl ester
SpectraBase Compound ID 8MU6uU9Z6tA
InChI InChI=1S/C11H11ClO3/c1-6(13)15-5-7-3-4-8-9(7)10(14)11(8,2)12/h3-5,8-9H,1-2H3/b7-5+/t8-,9+,11+/m1/s1
InChIKey BSPXHGPGFMXYTL-HCIZQGPGSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C01Ccqc2hBL
Name (1R*,5R*,6S*)-Acetic acid (6-chloro-6-methyl-7-oxobicyclo[3.2.0]hept-3-en-2-ylidene)methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-6(13)15-5-7-3-4-8-9(7)10(14)11(8,2)12/h3-5,8-9H,1-2H3/b7-5+/t8-,9+,11+/m1/s1
InChIKey BSPXHGPGFMXYTL-HCIZQGPGSA-N
Molecular Weight 226.659 g/mol
SMILES C1([C@](Cl)(C)[C@]2([C@@]1(\C(C=C2)=C\OC(=O)C)[H])[H])=O
SPLASH splash10-0006-9000000000-cb0e2b71bc1cf08235df
Source of Spectrum J-64-661-10
Synonyms (1R*,5R*,6S*)-Acetic acid (6-chloro-6-methyl-7-oxobicyclo[3.2.0]hept-3-en-2-ylidenr)methyl ester (E)-[(1R,5R,6S)-6-chloro-6-methyl-7-oxobicyclo[3.2.0]hept-3-en-2-ylidene]methyl acetate acetic acid[(E)-[(1R,5R,7S)-7-chloro-6-keto-7-methyl-4-bicyclo[3.2.0]hept-2-enylidene]methyl]ester acetic acid[(E)-[(1R,5R,7S)-7-chloro-7-methyl-6-oxo-4-bicyclo[3.2.0]hept-2-enylidene]methyl]ester [(E)-[(1R,5R,7S)-7-chloranyl-7-methyl-6-oxidanylidene-4-bicyclo[3.2.0]hept-2-enylidene]methyl]ethanoate [(E)-[(1R,5R,7S)-7-chloro-7-methyl-6-oxo-4-bicyclo[3.2.0]hept-2-enylidene]methyl]acetate acetic acid [(E)-[(1R,5R,7S)-7-chloro-7-methyl-6-oxo-4-bicyclo[3.2.0]hept-2-enylidene]methyl] ester [(E)-[(1R,5R,7S)-7-chloro-7-methyl-6-oxo-4-bicyclo[3.2.0]hept-2-enylidene]methyl] acetate [(E)-[(1R,5R,7S)-7-chloranyl-7-methyl-6-oxidanylidene-4-bicyclo[3.2.0]hept-2-enylidene]methyl] ethanoate
Wiley ID 1529199