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L-Alanyl-L-isoleucine, N-methoxycarbonyl-, methyl ester

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L-Alanyl-L-isoleucine, N-methoxycarbonyl-, methyl ester
SpectraBase Compound ID GgbI0QnUQ62
InChI InChI=1S/C12H22N2O5/c1-6-7(2)9(11(16)18-4)14-10(15)8(3)13-12(17)19-5/h7-9H,6H2,1-5H3,(H,13,17)(H,14,15)
InChIKey SPJKRQKSJGVYIN-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 M3RZM08lUm
Name L-Alanyl-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 274.152871811 u
Formula C12H22N2O5
InChI InChI=1S/C12H22N2O5/c1-6-7(2)9(11(16)18-4)14-10(15)8(3)13-12(17)19-5/h7-9H,6H2,1-5H3,(H,13,17)(H,14,15)
InChIKey SPJKRQKSJGVYIN-UHFFFAOYSA-N
SMILES COC(NC(C(NC(C(CC)C)C(OC)=O)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861111