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L-Isoleucine, N-methyl-N-(N-propyloxycarbonyl)-, N-propyl ester

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

L-Isoleucine, N-methyl-N-(N-propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID BoLpqNkf6v4
InChI InChI=1S/C14H27NO4/c1-6-9-18-13(16)12(11(4)8-3)15(5)14(17)19-10-7-2/h11-12H,6-10H2,1-5H3
InChIKey AFKRIUYYPOQNAP-UHFFFAOYSA-N
Mol Weight 273.37 g/mol
Molecular Formula C14H27NO4
Exact Mass 273.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DqVlv8LACC9
Name L-Isoleucine, N-methyl-N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.194008349 u
Formula C14H27NO4
InChI InChI=1S/C14H27NO4/c1-6-9-18-13(16)12(11(4)8-3)15(5)14(17)19-10-7-2/h11-12H,6-10H2,1-5H3
InChIKey AFKRIUYYPOQNAP-UHFFFAOYSA-N
SMILES CCC(C(C(OCCC)=O)N(C)C(OCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963935