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(1R,4R,5S,7R)-7-acetyl-4-methyl-9-bicyclo[3.2.2]nonanone
SpectraBase Compound ID GzcTSQP0bi5
InChI InChI=1S/C12H18O2/c1-7-3-4-9-5-12(14)10(7)6-11(9)8(2)13/h7,9-11H,3-6H2,1-2H3/t7-,9+,10-,11+/m1/s1
InChIKey JBTYPRBGTHXTPP-DQDDRIPDSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOJIsIQRddF
Name (1R,4R,5S,7R)-7-acetyl-4-methyl-9-bicyclo[3.2.2]nonanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7-3-4-9-5-12(14)10(7)6-11(9)8(2)13/h7,9-11H,3-6H2,1-2H3/t7-,9+,10-,11+/m1/s1
InChIKey JBTYPRBGTHXTPP-DQDDRIPDSA-N
Molecular Weight 194.274 g/mol
SMILES C1([C@@]2(C[C@]([C@](C1)(CC[C@]2(C)[H])[H])(C(=O)C)[H])[H])=O
SPLASH splash10-0006-9300000000-366cc9eeeecba751c134
Source of Spectrum B-39-438-9
Synonyms (1R,4R,5S,7R)-7-acetyl-4-methyl-bicyclo[3.2.2]nonan-9-one (1R,4R,5S,7R)-7-ethanoyl-4-methyl-bicyclo[3.2.2]nonan-9-one
Wiley ID 1191106