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3-Amino-pentanoic acid, N-methoxycarbonyl-, methyl ester

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

3-Amino-pentanoic acid, N-methoxycarbonyl-, methyl ester
SpectraBase Compound ID K9YUvKVqgmh
InChI InChI=1S/C8H15NO4/c1-4-6(5-7(10)12-2)9-8(11)13-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKey JGBCPXSYLQXXDM-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CiATLuL5kZP
Name 3-Amino-pentanoic acid, N-methoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.100107963 u
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-4-6(5-7(10)12-2)9-8(11)13-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKey JGBCPXSYLQXXDM-UHFFFAOYSA-N
Molecular Weight 189.211 g/mol
SMILES CCC(CC(OC)=O)NC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949249