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L-Proline, N-(pentafluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 18wr5eygQ9r
InChI InChI=1S/C29H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-29(37)21-18-17-19-35(21)28(36)22-23(30)25(32)27(34)26(33)24(22)31/h21H,2-20H2,1H3
InChIKey QRBOVKBZVDQWBT-UHFFFAOYSA-N
Mol Weight 547.7 g/mol
Molecular Formula C29H42F5NO3
Exact Mass 547.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9h4ZTm4NXuS
Name L-Proline, N-(pentafluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 547.308485028 u
Formula C29H42F5NO3
InChI InChI=1S/C29H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-29(37)21-18-17-19-35(21)28(36)22-23(30)25(32)27(34)26(33)24(22)31/h21H,2-20H2,1H3
InChIKey QRBOVKBZVDQWBT-UHFFFAOYSA-N
Molecular Weight 547.651 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O