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L-Isoleucine, N-ethoxycarbonyl-, methyl ester

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

L-Isoleucine, N-ethoxycarbonyl-, methyl ester
SpectraBase Compound ID 4cealnvxGdf
InChI InChI=1S/C10H19NO4/c1-5-7(3)8(9(12)14-4)11-10(13)15-6-2/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKey LWXRMBZDTHMHPL-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C10H19NO4
Exact Mass 217.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID zBghKBWr4T
Name L-Isoleucine, N-ethoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.131408092 u
Formula C10H19NO4
InChI InChI=1S/C10H19NO4/c1-5-7(3)8(9(12)14-4)11-10(13)15-6-2/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKey LWXRMBZDTHMHPL-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES C(C(C(OC)=O)NC(OCC)=O)(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817134