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(1S,5R,6S)*--5-acetoxybicyclo[4.4.0]decan-2-one
SpectraBase Compound ID 22NqLiIMOHn
InChI InChI=1S/C12H18O3/c1-8(13)15-12-7-6-11(14)9-4-2-3-5-10(9)12/h9-10,12H,2-7H2,1H3/t9-,10-,12+/m0/s1
InChIKey CFXXKBANTXJILF-JBLDHEPKSA-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 9zlgUYieVtt
Name (1S,5R,6S)*--5-acetoxybicyclo[4.4.0]decan-2-one
Alternate Name(s) (1R,4aS,8aS)-4-oxodecahydro-1-naphthalenyl acetate
CAS Registry Number 134080-40-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(13)15-12-7-6-11(14)9-4-2-3-5-10(9)12/h9-10,12H,2-7H2,1H3/t9-,10-,12+/m0/s1
InChIKey CFXXKBANTXJILF-JBLDHEPKSA-N
Molecular Weight 210.273 g/mol
SMILES [C@]12([C@@](C(=O)CC[C@]2(OC(=O)C)[H])(CCCC1)[H])[H]
SPLASH splash10-0udi-0900000000-8768cc1ffff8287e99f1
Source of Spectrum C-113-5026-8
Wiley ID 1209270