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

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

2-Chloropropanoyl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)-
SpectraBase Compound ID Huv1olh44IK
InChI InChI=1S/C19H30ClNO/c1-4-6-10-17(5-2)15-21(19(22)16(3)20)14-13-18-11-8-7-9-12-18/h7-9,11-12,16-17H,4-6,10,13-15H2,1-3H3
InChIKey IGYJCHFKHVQUGE-UHFFFAOYSA-N
Mol Weight 323.91 g/mol
Molecular Formula C19H30ClNO
Exact Mass 323.201592 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JaxTy71YFC0
Name 2-Chloropropanoyl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.201592289 u
Formula C19H30ClNO
InChI InChI=1S/C19H30ClNO/c1-4-6-10-17(5-2)15-21(19(22)16(3)20)14-13-18-11-8-7-9-12-18/h7-9,11-12,16-17H,4-6,10,13-15H2,1-3H3
InChIKey IGYJCHFKHVQUGE-UHFFFAOYSA-N
Molecular Weight 323.908 g/mol
SMILES CC(Cl)C(=O)N(CC(CCCC)CC)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935063