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

*Links on SpectraBase are not permalinks.

2-Hydroxymethyl-6,6-dimethyl-3-thiobenzylbicyclo[3.1.1]heptane

View entire compound with spectra: 1 FTIR

2-Hydroxymethyl-6,6-dimethyl-3-thiobenzylbicyclo[3.1.1]heptane
SpectraBase Compound ID CsSyVJVidj6
InChI InChI=1S/C17H24OS/c1-17(2)13-8-15(17)14(10-18)16(9-13)19-11-12-6-4-3-5-7-12/h3-7,13-16,18H,8-11H2,1-2H3/t13-,14+,15+,16+/m0/s1
InChIKey OKFGPVBDVAUFDY-ZJIFWQFVSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4jvYCIK5oCr
Name 2-Hydroxymethyl-6,6-dimethyl-3-thiobenzylbicyclo[3.1.1]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.154786566 u
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-17(2)13-8-15(17)14(10-18)16(9-13)19-11-12-6-4-3-5-7-12/h3-7,13-16,18H,8-11H2,1-2H3/t13-,14+,15+,16+/m0/s1
InChIKey OKFGPVBDVAUFDY-ZJIFWQFVSA-N
SMILES [C@@]12(C(C)(C)[C@@](C2)(C[C@]([C@@]1(CO)[H])(SCC1=CC=CC=C1)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910708