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

*Links on SpectraBase are not permalinks.
4-(Phenylthio)-6-carbomethoxybicyclo[4.3.0]nona-1,3-diene
SpectraBase Compound ID 2LRBW1I6bOI
InChI InChI=1S/C17H18O2S/c1-19-16(18)17-11-5-6-13(17)9-10-15(12-17)20-14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3
InChIKey XFZBEJBLFVBLJO-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 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 7ngAYE71l0f
Name 4-(Phenylthio)-6-carbomethoxybicyclo[4.3.0]nona-1,3-diene
CAS Registry Number 85335-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-19-16(18)17-11-5-6-13(17)9-10-15(12-17)20-14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3
InChIKey XFZBEJBLFVBLJO-UHFFFAOYSA-N
Molecular Weight 286.389 g/mol
SMILES C12(C(=CC=C(C2)Sc2ccccc2)CCC1)C(=O)OC
SPLASH splash10-0a6s-0940000000-5687f35b74b07d0845ec
Source of Spectrum J-50-4260-24
Synonyms Methyl 5-(phenylsulfanyl)-1,2,3,4-tetrahydro-3aH-indene-3a-carboxylate
Wiley ID 1289960