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L-Proline, N-(2-bromobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-bromobenzoyl)-, undecyl ester
SpectraBase Compound ID DU77RHI9RzC
InChI InChI=1S/C23H34BrNO3/c1-2-3-4-5-6-7-8-9-12-18-28-23(27)21-16-13-17-25(21)22(26)19-14-10-11-15-20(19)24/h10-11,14-15,21H,2-9,12-13,16-18H2,1H3
InChIKey WAMDMYBYGIGPFF-UHFFFAOYSA-N
Mol Weight 452.4 g/mol
Molecular Formula C23H34BrNO3
Exact Mass 451.172207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bkg8CCr5nby
Name L-Proline, N-(2-bromobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.172206956 u
Formula C23H34BrNO3
InChI InChI=1S/C23H34BrNO3/c1-2-3-4-5-6-7-8-9-12-18-28-23(27)21-16-13-17-25(21)22(26)19-14-10-11-15-20(19)24/h10-11,14-15,21H,2-9,12-13,16-18H2,1H3
InChIKey WAMDMYBYGIGPFF-UHFFFAOYSA-N
Molecular Weight 452.433 g/mol
SMILES C1C(N(C(=O)C2=C(C=CC=C2)Br)CC1)C(=O)OCCCCCCCCCCC