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6-Chloro-5-[phenylsulfonyl]-o-anisonitrile

View entire compound with spectra: 1 FTIR

6-Chloro-5-[phenylsulfonyl]-o-anisonitrile
SpectraBase Compound ID anZG030mYI
InChI InChI=1S/C14H10ClNO3S/c1-19-12-7-8-13(14(15)11(12)9-16)20(17,18)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey CQYMITRVYXPVSK-UHFFFAOYSA-N
Mol Weight 307.75 g/mol
Molecular Formula C14H10ClNO3S
Exact Mass 307.006992 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5fekHyLzpPO
Name 6-Chloro-5-[phenylsulfonyl]-o-anisonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.006992057 u
Formula C14H10ClNO3S
InChI InChI=1S/C14H10ClNO3S/c1-19-12-7-8-13(14(15)11(12)9-16)20(17,18)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey CQYMITRVYXPVSK-UHFFFAOYSA-N
Molecular Weight 307.751 g/mol
SMILES C1(=C(C(=C(C=C1)S(C1=CC=CC=C1)(=O)=O)Cl)C#N)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946047