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L-Proline, N-(3-bromobenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-bromobenzoyl)-, dodecyl ester
SpectraBase Compound ID 5PJc10dwgB1
InChI InChI=1S/C24H36BrNO3/c1-2-3-4-5-6-7-8-9-10-11-18-29-24(28)22-16-13-17-26(22)23(27)20-14-12-15-21(25)19-20/h12,14-15,19,22H,2-11,13,16-18H2,1H3
InChIKey FKJICEVZVRMBOE-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 DwqivdqPeBY
Name L-Proline, N-(3-bromobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.187857020 u
Formula C24H36BrNO3
InChI InChI=1S/C24H36BrNO3/c1-2-3-4-5-6-7-8-9-10-11-18-29-24(28)22-16-13-17-26(22)23(27)20-14-12-15-21(25)19-20/h12,14-15,19,22H,2-11,13,16-18H2,1H3
InChIKey FKJICEVZVRMBOE-UHFFFAOYSA-N
Molecular Weight 466.460 g/mol
SMILES C1C(N(C(=O)C2=CC(=CC=C2)Br)CC1)C(=O)OCCCCCCCCCCCC