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L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID tqxagGWhhL
InChI InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-12-15-29-23(28)21(17(2)3)26-22(27)18-13-14-19(24)20(25)16-18/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,26,27)
InChIKey ZYHIQULOSLFRJX-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H35F2NO3
Exact Mass 411.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JPsToUnqtK
Name L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-12-15-29-23(28)21(17(2)3)26-22(27)18-13-14-19(24)20(25)16-18/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,26,27)
InChIKey ZYHIQULOSLFRJX-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)F)F