For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

L-Valine, N-(N-acetyl-L-valyl)-, butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Valine, N-(N-acetyl-L-valyl)-, butyl ester
SpectraBase Compound ID 7YJDKwHff3s
InChI InChI=1S/C16H30N2O4/c1-7-8-9-22-16(21)14(11(4)5)18-15(20)13(10(2)3)17-12(6)19/h10-11,13-14H,7-9H2,1-6H3,(H,17,19)(H,18,20)
InChIKey MBGVSQGWKOHGSZ-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C16H30N2O4
Exact Mass 314.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FjkLa0bAYjC
Name L-Valine, N-(N-acetyl-L-valyl)-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.220557450 u
Formula C16H30N2O4
InChI InChI=1S/C16H30N2O4/c1-7-8-9-22-16(21)14(11(4)5)18-15(20)13(10(2)3)17-12(6)19/h10-11,13-14H,7-9H2,1-6H3,(H,17,19)(H,18,20)
InChIKey MBGVSQGWKOHGSZ-UHFFFAOYSA-N
Molecular Weight 314.426 g/mol
SMILES [C@](NC([C@@](NC(C)=O)(C(C)C)[H])=O)(C(OCCCC)=O)(C(C)C)[H]