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L-Isoleucyl-L-alanine, N-methoxycarbonyl-, methyl ester

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L-Isoleucyl-L-alanine, N-methoxycarbonyl-, methyl ester
SpectraBase Compound ID 49cl8qHKeCP
InChI InChI=1S/C12H22N2O5/c1-6-7(2)9(14-12(17)19-5)10(15)13-8(3)11(16)18-4/h7-9H,6H2,1-5H3,(H,13,15)(H,14,17)
InChIKey NQKPLAXVTIPWRF-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C12H22N2O5
Exact Mass 274.152872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7CSb1322Jis
Name L-Isoleucyl-L-alanine, N-methoxycarbonyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.152871811 u
Formula C12H22N2O5
InChI InChI=1S/C12H22N2O5/c1-6-7(2)9(14-12(17)19-5)10(15)13-8(3)11(16)18-4/h7-9H,6H2,1-5H3,(H,13,15)(H,14,17)
InChIKey NQKPLAXVTIPWRF-UHFFFAOYSA-N
SMILES COC(NC(C(CC)C)C(NC(C(OC)=O)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921125