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

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Glycine, N-(2-chloroethoxycarbonyl)-, isobutyl ester
SpectraBase Compound ID kQqm0Ughgr
InChI InChI=1S/C9H16ClNO4/c1-7(2)6-15-8(12)5-11-9(13)14-4-3-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKey QLQSLVMOBDTGBV-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 Bw4rnCX9GpF
Name Glycine, N-(2-chloroethoxycarbonyl)-, isobutyl 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/c1-7(2)6-15-8(12)5-11-9(13)14-4-3-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKey QLQSLVMOBDTGBV-UHFFFAOYSA-N
Molecular Weight 237.683 g/mol
SMILES CC(C)COC(CNC(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920631