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.beta.-Alanine, N-(2-chloroethoxycarbonyl)-, dodecyl ester

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

.beta.-Alanine, N-(2-chloroethoxycarbonyl)-, dodecyl ester
SpectraBase Compound ID b7TgM0oxmg
InChI InChI=1S/C18H34ClNO4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17(21)12-14-20-18(22)24-16-13-19/h2-16H2,1H3,(H,20,22)
InChIKey JNDZGVLNMFAXSN-UHFFFAOYSA-N
Mol Weight 363.9 g/mol
Molecular Formula C18H34ClNO4
Exact Mass 363.217636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AoVmLklLTRE
Name .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.217636275 u
Formula C18H34ClNO4
InChI InChI=1S/C18H34ClNO4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17(21)12-14-20-18(22)24-16-13-19/h2-16H2,1H3,(H,20,22)
InChIKey JNDZGVLNMFAXSN-UHFFFAOYSA-N
Molecular Weight 363.926 g/mol
SMILES CCCCCCCCCCCCOC(CCNC(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889399