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L-Isoleucine, N-(methoxycarbonyl)-, methyl ester

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

L-Isoleucine, N-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID 8CJysCr7xPU
InChI InChI=1S/C9H17NO4/c1-5-6(2)7(8(11)13-3)10-9(12)14-4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKey UZXUHMNMDYKEHI-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 QXMMlAAYFi
Name L-Isoleucine, 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/c1-5-6(2)7(8(11)13-3)10-9(12)14-4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKey UZXUHMNMDYKEHI-UHFFFAOYSA-N
Molecular Weight 203.238 g/mol
SMILES C(C(NC(=O)OC)C(CC)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845898