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L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester
SpectraBase Compound ID HblVX68Rw8s
InChI InChI=1S/C30H50FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-35-30(34)28(25(2)3)32-29(33)26-20-22-27(31)23-21-26/h20-23,25,28H,4-19,24H2,1-3H3,(H,32,33)
InChIKey FKUIILACOJINNC-UHFFFAOYSA-N
Mol Weight 491.7 g/mol
Molecular Formula C30H50FNO3
Exact Mass 491.377473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3viQwPdhHJz
Name L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 491.377472634 u
Formula C30H50FNO3
InChI InChI=1S/C30H50FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-35-30(34)28(25(2)3)32-29(33)26-20-22-27(31)23-21-26/h20-23,25,28H,4-19,24H2,1-3H3,(H,32,33)
InChIKey FKUIILACOJINNC-UHFFFAOYSA-N
Molecular Weight 491.732 g/mol
SMILES C1(=CC=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)=O)F