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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-bromobenzoyl)-, tetradecyl ester
SpectraBase Compound ID IUlQfTD8W3K
InChI InChI=1S/C26H40BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-31-26(30)24-19-16-20-28(24)25(29)22-17-13-14-18-23(22)27/h13-14,17-18,24H,2-12,15-16,19-21H2,1H3
InChIKey IXLDKFNERBEMFI-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C26H40BrNO3
Exact Mass 493.219157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANzOBdjxhzm
Name L-Proline, N-(2-bromobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 493.219157149 u
Formula C26H40BrNO3
InChI InChI=1S/C26H40BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-31-26(30)24-19-16-20-28(24)25(29)22-17-13-14-18-23(22)27/h13-14,17-18,24H,2-12,15-16,19-21H2,1H3
InChIKey IXLDKFNERBEMFI-UHFFFAOYSA-N
Molecular Weight 494.514 g/mol
SMILES C1(=C(C=CC=C1)Br)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O