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L-Valine, N-neopentyloxycarbonyl-, hexyl ester

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

L-Valine, N-neopentyloxycarbonyl-, hexyl ester
SpectraBase Compound ID Lizj7SiX4P0
InChI InChI=1S/C17H33NO4/c1-7-8-9-10-11-21-15(19)14(13(2)3)18-16(20)22-12-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,20)
InChIKey BIYMKOIHBKMIEC-UHFFFAOYSA-N
Mol Weight 315.5 g/mol
Molecular Formula C17H33NO4
Exact Mass 315.240959 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CKbuH6mHN4D
Name L-Valine, N-neopentyloxycarbonyl-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.240958543 u
Formula C17H33NO4
InChI InChI=1S/C17H33NO4/c1-7-8-9-10-11-21-15(19)14(13(2)3)18-16(20)22-12-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,20)
InChIKey BIYMKOIHBKMIEC-UHFFFAOYSA-N
Molecular Weight 315.454 g/mol
SMILES CCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835491