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N-(2-Chlorobenzyl)-2-propanamine, N-acetyl-

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

N-(2-Chlorobenzyl)-2-propanamine, N-acetyl-
SpectraBase Compound ID 4SDsBo1f0Jh
InChI InChI=1S/C12H16ClNO/c1-9(2)14(10(3)15)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3
InChIKey PRLMXISAMJQGDS-UHFFFAOYSA-N
Mol Weight 225.72 g/mol
Molecular Formula C12H16ClNO
Exact Mass 225.092042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H80dAMCHEFk
Name N-(2-Chlorobenzyl)-2-propanamine, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.092041838 u
Formula C12H16ClNO
InChI InChI=1S/C12H16ClNO/c1-9(2)14(10(3)15)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3
InChIKey PRLMXISAMJQGDS-UHFFFAOYSA-N
Molecular Weight 225.719 g/mol
SMILES C1(Cl)=C(C=CC=C1)CN(C(C)C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91905