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(+/-)-(1R*,2S*,6R*,7S*)-2-ACETYL-7-HYDROXYBICYCLO-[4.4.0]-DECAN-4-ONE
SpectraBase Compound ID KEMAl4HAwdg
InChI InChI=1S/C12H18O3/c1-7(13)10-5-8(14)6-11-9(10)3-2-4-12(11)15/h9-12,15H,2-6H2,1H3/t9-,10+,11+,12-/m0/s1
InChIKey GCJMAEWYJASHJE-QCNOEVLYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zerI0b7WA0
Name (+-)-(1R,2S,6R,7S)-2-Acetyl-7-hydroxybicyclo[4.4.0]decan-4-one
Alternate Name(s) (4S,4aR,8S,8aR)-4-acetyl-8-hydroxyoctahydro-2(1H)-naphthalenone
CAS Registry Number 128948-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7(13)10-5-8(14)6-11-9(10)3-2-4-12(11)15/h9-12,15H,2-6H2,1H3/t9-,10+,11+,12-/m0/s1
InChIKey GCJMAEWYJASHJE-QCNOEVLYSA-N
Molecular Weight 210.273 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@](C(=O)C)(CC(C2)=O)[H])(CCC1)[H])[H])[H]
SPLASH splash10-0006-9400000000-47a54655b9fd9f5b8dde
Source of Spectrum F-46-420-29
Wiley ID 1209226