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L-Valine, N-pentafluorobenzoyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, heptadecyl ester
SpectraBase Compound ID 5c2AXk0ZgU4
InChI InChI=1S/C29H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-29(37)27(20(2)3)35-28(36)21-22(30)24(32)26(34)25(33)23(21)31/h20,27H,4-19H2,1-3H3,(H,35,36)
InChIKey HXVCZIYSLVGVQX-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C29H44F5NO3
Exact Mass 549.324135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID p9XP9toVnm
Name L-Valine, N-pentafluorobenzoyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.324135093 u
Formula C29H44F5NO3
InChI InChI=1S/C29H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-29(37)27(20(2)3)35-28(36)21-22(30)24(32)26(34)25(33)23(21)31/h20,27H,4-19H2,1-3H3,(H,35,36)
InChIKey HXVCZIYSLVGVQX-UHFFFAOYSA-N
Molecular Weight 549.667 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)F)F)F