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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-bromobenzoyl)-, dodecyl ester
SpectraBase Compound ID 8t0cFgbweCe
InChI InChI=1S/C24H36BrNO3/c1-2-3-4-5-6-7-8-9-10-13-19-29-24(28)22-17-14-18-26(22)23(27)20-15-11-12-16-21(20)25/h11-12,15-16,22H,2-10,13-14,17-19H2,1H3
InChIKey NMCUITVCGGUTME-UHFFFAOYSA-N
Mol Weight 466.5 g/mol
Molecular Formula C24H36BrNO3
Exact Mass 465.187857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlPaHyAPZZ0
Name L-Proline, N-(2-bromobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.187857020 u
Formula C24H36BrNO3
InChI InChI=1S/C24H36BrNO3/c1-2-3-4-5-6-7-8-9-10-13-19-29-24(28)22-17-14-18-26(22)23(27)20-15-11-12-16-21(20)25/h11-12,15-16,22H,2-10,13-14,17-19H2,1H3
InChIKey NMCUITVCGGUTME-UHFFFAOYSA-N
Molecular Weight 466.460 g/mol
SMILES C1(=C(C=CC=C1)Br)C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O