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L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID 9e1j8f6Jxb5
InChI InChI=1S/C30H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-30(33)28(25(2)3)31-29(32)27-22-20-26(4)21-23-27/h20-23,25,28H,5-19,24H2,1-4H3,(H,31,32)
InChIKey WSHTZMGMWOSCRS-UHFFFAOYSA-N
Mol Weight 473.7 g/mol
Molecular Formula C30H51NO3
Exact Mass 473.386895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT30d7zVOVK
Name L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.386894503 u
Formula C30H51NO3
InChI InChI=1S/C30H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-30(33)28(25(2)3)31-29(32)27-22-20-26(4)21-23-27/h20-23,25,28H,5-19,24H2,1-4H3,(H,31,32)
InChIKey WSHTZMGMWOSCRS-UHFFFAOYSA-N
Molecular Weight 473.742 g/mol
SMILES C1(=CC=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)=O)C