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Tert-leucine, N-methoxycarbonyl-, isohexyl ester

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

Tert-leucine, N-methoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 2zpUcTrNQQ5
InChI InChI=1S/C14H27NO4/c1-10(2)8-7-9-19-12(16)11(14(3,4)5)15-13(17)18-6/h10-11H,7-9H2,1-6H3,(H,15,17)
InChIKey LXJANJDLKUQGEQ-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 41SbbQKJqnT
Name Tert-leucine, N-methoxycarbonyl-, isohexyl 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/c1-10(2)8-7-9-19-12(16)11(14(3,4)5)15-13(17)18-6/h10-11H,7-9H2,1-6H3,(H,15,17)
InChIKey LXJANJDLKUQGEQ-UHFFFAOYSA-N
SMILES C(C(NC(OC)=O)C(C)(C)C)(=O)OCCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937652