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L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, 2-methoxyethyl ester

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

L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, 2-methoxyethyl ester
SpectraBase Compound ID IVODptIKBbx
InChI InChI=1S/C13H25NO6/c1-5-10(2)11(12(15)19-8-6-17-3)14-13(16)20-9-7-18-4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey IEYCSBSINAZTLH-UHFFFAOYSA-N
Mol Weight 291.34 g/mol
Molecular Formula C13H25NO6
Exact Mass 291.168188 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EOavBjHyRyq
Name L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.168187523 u
Formula C13H25NO6
InChI InChI=1S/C13H25NO6/c1-5-10(2)11(12(15)19-8-6-17-3)14-13(16)20-9-7-18-4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey IEYCSBSINAZTLH-UHFFFAOYSA-N
SMILES C(OC(C(NC(OCCOC)=O)C(C)CC)=O)COC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846234