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3-Chloro-2'-nitrobutyranilide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-Chloro-2'-nitrobutyranilide
SpectraBase Compound ID 876vcb7VJOK
InChI InChI=1S/C10H11ClN2O3/c1-7(11)6-10(14)12-8-4-2-3-5-9(8)13(15)16/h2-5,7H,6H2,1H3,(H,12,14)
InChIKey ZBQCFACLMVLFJB-UHFFFAOYSA-N
Mol Weight 242.66 g/mol
Molecular Formula C10H11ClN2O3
Exact Mass 242.04582 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HvM8XszFxlM
Name 3-Chloro-2'-nitrobutyranilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.045819919 u
Formula C10H11ClN2O3
InChI InChI=1S/C10H11ClN2O3/c1-7(11)6-10(14)12-8-4-2-3-5-9(8)13(15)16/h2-5,7H,6H2,1H3,(H,12,14)
InChIKey ZBQCFACLMVLFJB-UHFFFAOYSA-N
Molecular Weight 242.662 g/mol
SMILES N(C=1C=CC=CC1N(=O)=O)C(CC(C)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.908159