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

View entire compound with spectra: 1 NMR

L-Valine, N-(4-methylbenzoyl)-, dodecyl ester
SpectraBase Compound ID JvUhRgicXfC
InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-19-29-25(28)23(20(2)3)26-24(27)22-17-15-21(4)16-18-22/h15-18,20,23H,5-14,19H2,1-4H3,(H,26,27)
InChIKey JOMFLMSRHRLOHZ-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7vgywusoWo
Name L-Valine, N-(4-methylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.308644181 u
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-19-29-25(28)23(20(2)3)26-24(27)22-17-15-21(4)16-18-22/h15-18,20,23H,5-14,19H2,1-4H3,(H,26,27)
InChIKey JOMFLMSRHRLOHZ-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES C1(=CC=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCC)=O)C