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

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

.beta.-Alanine, N-(2-chloroethoxycarbonyl)-, butyl ester
SpectraBase Compound ID 5NZspAyjRV9
InChI InChI=1S/C10H18ClNO4/c1-2-3-7-15-9(13)4-6-12-10(14)16-8-5-11/h2-8H2,1H3,(H,12,14)
InChIKey FHSMFMJLBKASNM-UHFFFAOYSA-N
Mol Weight 251.71 g/mol
Molecular Formula C10H18ClNO4
Exact Mass 251.092436 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WFWt0WB3wi
Name .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.092435760 u
Formula C10H18ClNO4
InChI InChI=1S/C10H18ClNO4/c1-2-3-7-15-9(13)4-6-12-10(14)16-8-5-11/h2-8H2,1H3,(H,12,14)
InChIKey FHSMFMJLBKASNM-UHFFFAOYSA-N
Molecular Weight 251.710 g/mol
SMILES CCCCOC(CCNC(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882593