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6-Aminocaproic acid, N-methoxycarbonyl-, methyl ester

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

6-Aminocaproic acid, N-methoxycarbonyl-, methyl ester
SpectraBase Compound ID 4L5xfZ1R1Us
InChI InChI=1S/C9H17NO4/c1-13-8(11)6-4-3-5-7-10-9(12)14-2/h3-7H2,1-2H3,(H,10,12)
InChIKey ODODYBZYJPWVIY-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 FgroX6uGhFw
Name 6-Aminocaproic 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/c1-13-8(11)6-4-3-5-7-10-9(12)14-2/h3-7H2,1-2H3,(H,10,12)
InChIKey ODODYBZYJPWVIY-UHFFFAOYSA-N
Molecular Weight 203.238 g/mol
SMILES COC(NCCCCCC(OC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976865