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Glycine, N-methoxycarbonyl-, isohexyl ester

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

Glycine, N-methoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 1TvqMeWpXZS
InChI InChI=1S/C10H19NO4/c1-8(2)5-4-6-15-9(12)7-11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey PEFGBFKOSNXXNU-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C10H19NO4
Exact Mass 217.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5zRNE9OG1k0
Name Glycine, N-methoxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.131408092 u
Formula C10H19NO4
InChI InChI=1S/C10H19NO4/c1-8(2)5-4-6-15-9(12)7-11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey PEFGBFKOSNXXNU-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES COC(NCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911057