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L-Alanine, N-(3-bromobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-bromobenzoyl)-, decyl ester
SpectraBase Compound ID 7EOk6FFhlIu
InChI InChI=1S/C20H30BrNO3/c1-3-4-5-6-7-8-9-10-14-25-20(24)16(2)22-19(23)17-12-11-13-18(21)15-17/h11-13,15-16H,3-10,14H2,1-2H3,(H,22,23)
InChIKey UVMZAEDOBHPMEI-UHFFFAOYSA-N
Mol Weight 412.37 g/mol
Molecular Formula C20H30BrNO3
Exact Mass 411.140907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gIaFFkoYat
Name L-Alanine, N-(3-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.140906827 u
Formula C20H30BrNO3
InChI InChI=1S/C20H30BrNO3/c1-3-4-5-6-7-8-9-10-14-25-20(24)16(2)22-19(23)17-12-11-13-18(21)15-17/h11-13,15-16H,3-10,14H2,1-2H3,(H,22,23)
InChIKey UVMZAEDOBHPMEI-UHFFFAOYSA-N
Molecular Weight 412.368 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCC)=O)C)=O)Br