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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-bromobenzoyl)-, decyl ester
SpectraBase Compound ID FfCSWn05LTI
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-11-17-27-22(26)20-15-12-16-24(20)21(25)18-13-9-10-14-19(18)23/h9-10,13-14,20H,2-8,11-12,15-17H2,1H3
InChIKey FGFHODCXMIWYOO-UHFFFAOYSA-N
Mol Weight 438.4 g/mol
Molecular Formula C22H32BrNO3
Exact Mass 437.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsfICYACx70
Name L-Proline, N-(2-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.156556891 u
Formula C22H32BrNO3
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-11-17-27-22(26)20-15-12-16-24(20)21(25)18-13-9-10-14-19(18)23/h9-10,13-14,20H,2-8,11-12,15-17H2,1H3
InChIKey FGFHODCXMIWYOO-UHFFFAOYSA-N
Molecular Weight 438.406 g/mol
SMILES C1C(N(C(=O)C2=C(C=CC=C2)Br)CC1)C(=O)OCCCCCCCCCC