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gly-L-ala, N-Ethoxycarbonyl-, methyl ester

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

gly-L-ala, N-Ethoxycarbonyl-, methyl ester
SpectraBase Compound ID IBKiELYDAYR
InChI InChI=1S/C9H16N2O5/c1-4-16-9(14)10-5-7(12)11-6(2)8(13)15-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKey QVUCOHNDFCJHCI-LURJTMIESA-N
Mol Weight 232.24 g/mol
Molecular Formula C9H16N2O5
Exact Mass 232.105922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IuDBzJsaJIV
Name gly-L-ala, N-Ethoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.105921618 u
Formula C9H16N2O5
InChI InChI=1S/C9H16N2O5/c1-4-16-9(14)10-5-7(12)11-6(2)8(13)15-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKey QVUCOHNDFCJHCI-LURJTMIESA-N
Molecular Weight 232.236 g/mol
SMILES [C@](NC(CNC(OCC)=O)=O)(C(OC)=O)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919216