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1-(Benzenesulfonyl)-2-ethenyl-1-cyclopropanecarbonitrile

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

1-(Benzenesulfonyl)-2-ethenyl-1-cyclopropanecarbonitrile
SpectraBase Compound ID IXomloT3NqD
InChI InChI=1S/C12H11NO2S/c1-2-10-8-12(10,9-13)16(14,15)11-6-4-3-5-7-11/h2-7,10H,1,8H2
InChIKey SPXPNASSUYCSJW-UHFFFAOYSA-N
Mol Weight 233.28 g/mol
Molecular Formula C12H11NO2S
Exact Mass 233.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9YiW67eMEea
Name 1-(Benzenesulfonyl)-2-ethenyl-1-cyclopropanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.051049770 u
Formula C12H11NO2S
InChI InChI=1S/C12H11NO2S/c1-2-10-8-12(10,9-13)16(14,15)11-6-4-3-5-7-11/h2-7,10H,1,8H2
InChIKey SPXPNASSUYCSJW-UHFFFAOYSA-N
Molecular Weight 233.285 g/mol
SMILES C1(C(C1)C=C)(C#N)S(=O)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921461