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

*Links on SpectraBase are not permalinks.
2-Propynyl 2,6-xylyl sulfone
SpectraBase Compound ID 9tOiS8tRmNo
InChI InChI=1S/C11H12O2S/c1-4-8-14(12,13)11-9(2)6-5-7-10(11)3/h1,5-7H,8H2,2-3H3
InChIKey XTOJPRQSCATBFQ-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CrVU2ugxiFs
Name 2-Propynyl 2,6-xylyl sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.055800798 u
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-4-8-14(12,13)11-9(2)6-5-7-10(11)3/h1,5-7H,8H2,2-3H3
InChIKey XTOJPRQSCATBFQ-UHFFFAOYSA-N
Molecular Weight 208.275 g/mol
SMILES C=1(C)C=CC=C(C1S(=O)(=O)CC#C)C
Spectrum/Structure Validation Score (Raman) 0.924513