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3-(Phenylsulfonyl)propionitrile

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

3-(Phenylsulfonyl)propionitrile
SpectraBase Compound ID 5SgHmp0CQ7G
InChI InChI=1S/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey OVZPZPVSUAKTCM-UHFFFAOYSA-N
Mol Weight 195.24 g/mol
Molecular Formula C9H9NO2S
Exact Mass 195.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID RTW7tghaf
Name 3-(Phenylsulfonyl)propionitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 334014
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2S
InChI InChI=1S/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey OVZPZPVSUAKTCM-UHFFFAOYSA-N
Molecular Weight 195.236 g/mol
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013793