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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YpyoT1KhZc
Name 3-(phenylsulfonyl)propanenitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.035399706 u
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
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Molecular Weight 195.236 g/mol
Quality 222
SMILES C(S(C1=CC=CC=C1)(=O)=O)CC#N
SPLASH splash10-004l-9500000000-c8318988517c45eec1b9
Source of Spectrum QE-23-SM10-6l (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.53 (Hexane/AcOEt, 1:1)
Wiley ID 1905653