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

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

.beta.-Alanine, N-(2-chloroethoxycarbonyl)-, propyl ester
SpectraBase Compound ID BN0Ikf5nusu
InChI InChI=1S/C9H16ClNO4/c1-2-6-14-8(12)3-5-11-9(13)15-7-4-10/h2-7H2,1H3,(H,11,13)
InChIKey JDLCSXLUBDJAIL-UHFFFAOYSA-N
Mol Weight 237.68 g/mol
Molecular Formula C9H16ClNO4
Exact Mass 237.076786 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qRYjo696S2
Name .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.076785695 u
Formula C9H16ClNO4
InChI InChI=1S/C9H16ClNO4/c1-2-6-14-8(12)3-5-11-9(13)15-7-4-10/h2-7H2,1H3,(H,11,13)
InChIKey JDLCSXLUBDJAIL-UHFFFAOYSA-N
Molecular Weight 237.683 g/mol
SMILES CCCOC(=O)CCNC(OCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921882