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2-Chloropropanoyl amide, N-(2-phenylethyl)-N-propyl-

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

2-Chloropropanoyl amide, N-(2-phenylethyl)-N-propyl-
SpectraBase Compound ID 91MLpY6G6XF
InChI InChI=1S/C14H20ClNO/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey XICNNLMGWDYBFA-UHFFFAOYSA-N
Mol Weight 253.77 g/mol
Molecular Formula C14H20ClNO
Exact Mass 253.123342 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1SVqDj7JD0
Name 2-Chloropropanoyl amide, N-(2-phenylethyl)-N-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.123341967 u
Formula C14H20ClNO
InChI InChI=1S/C14H20ClNO/c1-3-10-16(14(17)12(2)15)11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey XICNNLMGWDYBFA-UHFFFAOYSA-N
Molecular Weight 253.773 g/mol
SMILES CC(Cl)C(=O)N(CCC)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948264