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Tert-leucine, N-isobutoxycarbonyl-, butyl ester

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

Tert-leucine, N-isobutoxycarbonyl-, butyl ester
SpectraBase Compound ID 20MPXXaC4Po
InChI InChI=1S/C15H29NO4/c1-7-8-9-19-13(17)12(15(4,5)6)16-14(18)20-10-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,18)
InChIKey XBHYFVSSRIFTKR-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C15H29NO4
Exact Mass 287.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5hZbPCiXDAg
Name Tert-leucine, N-isobutoxycarbonyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.209658414 u
Formula C15H29NO4
InChI InChI=1S/C15H29NO4/c1-7-8-9-19-13(17)12(15(4,5)6)16-14(18)20-10-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,18)
InChIKey XBHYFVSSRIFTKR-UHFFFAOYSA-N
SMILES CCCCOC(C(NC(OCC(C)C)=O)C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950866