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

*Links on SpectraBase are not permalinks.
2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-phenyl-, 1-oxide, (R*,R*)-
SpectraBase Compound ID IOQlxIELHxI
InChI InChI=1S/C13H16O2S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-16(12)15/h1,3-4,7-9,13-14H,2,5-6,10H2
InChIKey JLWXAVKAHHNDPL-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 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 3jEbnnWl8uF
Name 2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-phenyl-, 1-oxide, (R*,R*)-
Alternate Name(s) (1-oxido-4,5,6,7-tetrahydro-2-thiepinyl)(phenyl)methanol 2-(1-Hydroxy-1-phenylmethyl)-1-thiacyclohept-2-ene 1-oxide
CAS Registry Number 79575-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-16(12)15/h1,3-4,7-9,13-14H,2,5-6,10H2
InChIKey JLWXAVKAHHNDPL-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES OC(C=1S(=O)CCCCC1)c1ccccc1
SPLASH splash10-066r-0790000000-f26973a10bf930f2628c
Source of Spectrum B-34-1033-0
Wiley ID 1237961