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L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID 9FoBSd7L7ph
InChI InChI=1S/C28H46FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-28(32)26(23(2)3)30-27(31)24-19-18-20-25(29)22-24/h18-20,22-23,26H,4-17,21H2,1-3H3,(H,30,31)
InChIKey COZXTPCIOBMDSV-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C28H46FNO3
Exact Mass 463.346173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyI2jP9B0fq
Name L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.346172505 u
Formula C28H46FNO3
InChI InChI=1S/C28H46FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-28(32)26(23(2)3)30-27(31)24-19-18-20-25(29)22-24/h18-20,22-23,26H,4-17,21H2,1-3H3,(H,30,31)
InChIKey COZXTPCIOBMDSV-UHFFFAOYSA-N
Molecular Weight 463.678 g/mol
SMILES C1(=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F