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

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

Glycine, N-(2-chloroethoxycarbonyl)-, isohexyl ester
SpectraBase Compound ID HJI8T4GXet2
InChI InChI=1S/C11H20ClNO4/c1-9(2)4-3-6-16-10(14)8-13-11(15)17-7-5-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKey QDZQCXYLZNEJBP-UHFFFAOYSA-N
Mol Weight 265.74 g/mol
Molecular Formula C11H20ClNO4
Exact Mass 265.108086 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L3hfErczGgK
Name Glycine, N-(2-chloroethoxycarbonyl)-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.108085824 u
Formula C11H20ClNO4
InChI InChI=1S/C11H20ClNO4/c1-9(2)4-3-6-16-10(14)8-13-11(15)17-7-5-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKey QDZQCXYLZNEJBP-UHFFFAOYSA-N
Molecular Weight 265.737 g/mol
SMILES CC(C)CCCOC(CNC(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837291