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

*Links on SpectraBase are not permalinks.
(1R,3aR,4S,6aS)-1-Allyl-4-methyl-3,3a,4,6a-tetrahydropentalen-2(1H)-one
SpectraBase Compound ID BSSjHZI3nVs
InChI InChI=1S/C12H16O/c1-3-4-10-9-6-5-8(2)11(9)7-12(10)13/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9+,10+,11+/m0/s1
InChIKey OUKVWBBVRMSRRD-LNFKQOIKSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 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 7jE53dTmv9F
Name (1R,3aR,4S,6aS)-1-Allyl-4-methyl-3,3a,4,6a-tetrahydropentalen-2(1H)-one
Alternate Name(s) (3R,3aS,6S,6aR)-3-allyl-6-methyl-3,3a,6,6a-tetrahydropentalen-2(1H)-one (1R,3aR,4S,6aS)-4-methyl-1-prop-2-enyl-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-10-9-6-5-8(2)11(9)7-12(10)13/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9+,10+,11+/m0/s1
InChIKey OUKVWBBVRMSRRD-LNFKQOIKSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12([C@](CC([C@@]2(CC=C)[H])=O)([C@@](C)(C=C1)[H])[H])[H]
SPLASH splash10-004i-9700000000-0a446bcf555369267048
Source of Spectrum U1-2013-769-16
Wiley ID 1735772