For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1(2H)-Pentalenone, 6-(acetyloxy)hexahydro-, (3a.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID Agv1V3ZW4d7
InChI InChI=1S/C10H14O3/c1-6(11)13-9-5-3-7-2-4-8(12)10(7)9/h7,9-10H,2-5H2,1H3/t7-,9-,10+/m0/s1
InChIKey GRFCEFQHKUVRLY-UJNFCWOMSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E9IpDfqev1E
Name 1(2H)-Pentalenone, 6-(acetyloxy)hexahydro-, (3a.alpha.,6.alpha.,6a.alpha.)-
Alternate Name(s) (1S,3aR,6aS)-6-oxooctahydro-1-pentalenyl acetate [8-oxobicyclo[3.3.0]oct-2-exo-yl]acetate
CAS Registry Number 99286-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-6(11)13-9-5-3-7-2-4-8(12)10(7)9/h7,9-10H,2-5H2,1H3/t7-,9-,10+/m0/s1
InChIKey GRFCEFQHKUVRLY-UJNFCWOMSA-N
Molecular Weight 182.219 g/mol
SMILES [C@@]1([C@]2(C(CC[C@@]2([H])CC1)=O)[H])(OC(=O)C)[H]
SPLASH splash10-00rx-9100000000-50b0ab58f082e5cc1f1b
Source of Spectrum H-68-506-21
Wiley ID 1178463