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Chloroacetamide, N-(2-phenylethyl)-N-octyl-

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Chloroacetamide, N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID LXpt7AkSl1Z
InChI InChI=1S/C18H28ClNO/c1-2-3-4-5-6-10-14-20(18(21)16-19)15-13-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3
InChIKey NBWAAQVQRMEOOO-UHFFFAOYSA-N
Mol Weight 309.88 g/mol
Molecular Formula C18H28ClNO
Exact Mass 309.185942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17q4VDvP9dx
Name Chloroacetamide, N-(2-phenylethyl)-N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.185942225 u
Formula C18H28ClNO
InChI InChI=1S/C18H28ClNO/c1-2-3-4-5-6-10-14-20(18(21)16-19)15-13-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3
InChIKey NBWAAQVQRMEOOO-UHFFFAOYSA-N
Molecular Weight 309.881 g/mol
SMILES C1=CC=CC(=C1)CCN(C(CCl)=O)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928419