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

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

3-Amino-hexanoic acid, N-methoxycarbonyl-, methyl ester
SpectraBase Compound ID F8YciuwqAgg
InChI InChI=1S/C9H17NO4/c1-4-5-7(6-8(11)13-2)10-9(12)14-3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey YPLIDLLTPUGJDU-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C9H17NO4
Exact Mass 203.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1MhcixWlct6
Name 3-Amino-hexanoic 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 203.115758027 u
Formula C9H17NO4
InChI InChI=1S/C9H17NO4/c1-4-5-7(6-8(11)13-2)10-9(12)14-3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey YPLIDLLTPUGJDU-UHFFFAOYSA-N
Molecular Weight 203.238 g/mol
SMILES C(CC(CC(=O)OC)NC(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953885