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4-chloro-N1-(2-cyanoethyl)metanilamide

View entire compound with spectra: 4 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

4-chloro-N1-(2-cyanoethyl)metanilamide
SpectraBase Compound ID Hh1GuiaB7aW
InChI InChI=1S/C9H10ClN3O2S/c10-8-3-2-7(6-9(8)12)16(14,15)13-5-1-4-11/h2-3,6,13H,1,5,12H2
InChIKey DNMYCTLTLUHRRT-UHFFFAOYSA-N
Mol Weight 259.71 g/mol
Molecular Formula C9H10ClN3O2S
Exact Mass 259.018225 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K25xy71y2Ls
Name 3-Amino-4-chloro-N-(2-cyanoethyl)benzene-sulfonamide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 145548
CAS Registry Number 64415-13-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10ClN3O2S
InChI InChI=1S/C9H10ClN3O2S/c10-8-3-2-7(6-9(8)12)16(14,15)13-5-1-4-11/h2-3,6,13H,1,5,12H2
InChIKey DNMYCTLTLUHRRT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001339