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Glycine, N-(2-chloroethoxycarbonyl)-, butyl ester

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

Glycine, N-(2-chloroethoxycarbonyl)-, butyl ester
SpectraBase Compound ID 9P36kdiOvfS
InChI InChI=1S/C9H16ClNO4/c1-2-3-5-14-8(12)7-11-9(13)15-6-4-10/h2-7H2,1H3,(H,11,13)
InChIKey UTNPBZUEUQNXLL-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 5AibPdfudhs
Name Glycine, 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 237.076785695 u
Formula C9H16ClNO4
InChI InChI=1S/C9H16ClNO4/c1-2-3-5-14-8(12)7-11-9(13)15-6-4-10/h2-7H2,1H3,(H,11,13)
InChIKey UTNPBZUEUQNXLL-UHFFFAOYSA-N
Molecular Weight 237.683 g/mol
SMILES CCCCOC(CNC(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943982