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ala-gly, N-(Methoxycarbonyl)-, methyl ester

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ala-gly, N-(Methoxycarbonyl)-, methyl ester
SpectraBase Compound ID BmUYkRX3FlL
InChI InChI=1S/C8H14N2O5/c1-5(10-8(13)15-3)7(12)9-4-6(11)14-2/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKey KEGJLSINTWLJCD-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C8H14N2O5
Exact Mass 218.090272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5lqp6RA4yVQ
Name ala-gly, N-(Methoxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.090271554 u
Formula C8H14N2O5
InChI InChI=1S/C8H14N2O5/c1-5(10-8(13)15-3)7(12)9-4-6(11)14-2/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKey KEGJLSINTWLJCD-UHFFFAOYSA-N
Molecular Weight 218.209 g/mol
SMILES C(NCC(=O)OC)(=O)C(NC(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965288