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

*Links on SpectraBase are not permalinks.
7a-allyl-3aS,7aR-3a,4,7,7a-tetrahydroindan-1-one
SpectraBase Compound ID msObdclBpQ
InChI InChI=1S/C12H16O/c1-2-8-12-9-4-3-5-10(12)6-7-11(12)13/h2-4,10H,1,5-9H2/t10-,12-/m1/s1
InChIKey NFUBOILVUOQFNY-ZYHUDNBSSA-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 CNxSyabONpq
Name 7a-allyl-3aS,7aR-3a,4,7,7a-tetrahydroindan-1-one
Alternate Name(s) (3aS,7aR)-7a-allyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
CAS Registry Number 110840-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-8-12-9-4-3-5-10(12)6-7-11(12)13/h2-4,10H,1,5-9H2/t10-,12-/m1/s1
InChIKey NFUBOILVUOQFNY-ZYHUDNBSSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12(C(CC[C@]2(CC=CC1)[H])=O)CC=C
SPLASH splash10-005i-4900000000-bce2b58408327c852e42
Source of Spectrum KC-1987-761-10
Wiley ID 1172778