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Tert-leucine, N-butoxycarbonyl-, pentadecyl ester

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

Tert-leucine, N-butoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 6HM0pXyhCPD
InChI InChI=1S/C26H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-24(28)23(26(3,4)5)27-25(29)31-21-9-7-2/h23H,6-22H2,1-5H3,(H,27,29)
InChIKey SNDKFAOMBRYKGM-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IkzzA09BU1a
Name Tert-leucine, N-butoxycarbonyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-24(28)23(26(3,4)5)27-25(29)31-21-9-7-2/h23H,6-22H2,1-5H3,(H,27,29)
InChIKey SNDKFAOMBRYKGM-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES C(OC(C(NC(OCCCC)=O)C(C)(C)C)=O)CCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83346