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N1-(4-Isopropylphenyl)-2-chloroacetamide

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

N1-(4-Isopropylphenyl)-2-chloroacetamide
SpectraBase Compound ID C1bzYrKlP1z
InChI InChI=1S/C11H14ClNO/c1-8(2)9-3-5-10(6-4-9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey NBPOAZHKOZEYOV-UHFFFAOYSA-N
Mol Weight 211.69 g/mol
Molecular Formula C11H14ClNO
Exact Mass 211.076392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AeXhcTQabM
Name N1-(4-Isopropylphenyl)-2-chloroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.076391774 u
Formula C11H14ClNO
InChI InChI=1S/C11H14ClNO/c1-8(2)9-3-5-10(6-4-9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey NBPOAZHKOZEYOV-UHFFFAOYSA-N
Molecular Weight 211.692 g/mol
SMILES C(NC1=CC=C(C(C)C)C=C1)(=O)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881252