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N-[2-Chloro-2-(p-tolylsulfinyl)pentanoyl]benzylamide

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

N-[2-Chloro-2-(p-tolylsulfinyl)pentanoyl]benzylamide
SpectraBase Compound ID BdrC4B6N9y1
InChI InChI=1S/C19H22ClNO2S/c1-3-13-19(20,24(23)17-11-9-15(2)10-12-17)18(22)21-14-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,21,22)
InChIKey PIPYZXZGRZUJGM-UHFFFAOYSA-N
Mol Weight 363.9 g/mol
Molecular Formula C19H22ClNO2S
Exact Mass 363.105978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INGApSAhjij
Name N-[2-Chloro-2-(p-tolylsulfinyl)pentanoyl]benzylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.105977824 u
Formula C19H22ClNO2S
InChI InChI=1S/C19H22ClNO2S/c1-3-13-19(20,24(23)17-11-9-15(2)10-12-17)18(22)21-14-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,21,22)
InChIKey PIPYZXZGRZUJGM-UHFFFAOYSA-N
Molecular Weight 363.903 g/mol
SMILES C(S(C1=CC=C(C=C1)C)=O)(C(NCC=1C=CC=CC1)=O)(Cl)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917047