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L-Isoleucine, N-(3-methylbutyl-, methyl ester

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L-Isoleucine, N-(3-methylbutyl-, methyl ester
SpectraBase Compound ID 6N1iz4gmPfo
InChI InChI=1S/C12H25NO2/c1-6-10(4)11(12(14)15-5)13-8-7-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKey GLSOPABEIZSCEI-UHFFFAOYSA-N
Mol Weight 215.34 g/mol
Molecular Formula C12H25NO2
Exact Mass 215.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ab03FD7MGdI
Name L-Isoleucine, N-(3-methylbutyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.188529047 u
Formula C12H25NO2
InChI InChI=1S/C12H25NO2/c1-6-10(4)11(12(14)15-5)13-8-7-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKey GLSOPABEIZSCEI-UHFFFAOYSA-N
Molecular Weight 215.337 g/mol
SMILES CCC(C(C(OC)=O)NCCC(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982422