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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-bromobenzoyl)-, nonyl ester
SpectraBase Compound ID FlE9sCf0Dxq
InChI InChI=1S/C21H30BrNO3/c1-2-3-4-5-6-7-10-16-26-21(25)19-14-11-15-23(19)20(24)17-12-8-9-13-18(17)22/h8-9,12-13,19H,2-7,10-11,14-16H2,1H3
InChIKey TVYIHIFOIFDGDI-UHFFFAOYSA-N
Mol Weight 424.38 g/mol
Molecular Formula C21H30BrNO3
Exact Mass 423.140907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq5e33HUyg2
Name L-Proline, N-(2-bromobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.140906827 u
Formula C21H30BrNO3
InChI InChI=1S/C21H30BrNO3/c1-2-3-4-5-6-7-10-16-26-21(25)19-14-11-15-23(19)20(24)17-12-8-9-13-18(17)22/h8-9,12-13,19H,2-7,10-11,14-16H2,1H3
InChIKey TVYIHIFOIFDGDI-UHFFFAOYSA-N
Molecular Weight 424.379 g/mol
SMILES C1C(N(C(=O)C2=C(C=CC=C2)Br)CC1)C(=O)OCCCCCCCCC