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.beta.-Alanine, N-(2-bromobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(2-bromobenzoyl)-, decyl ester
SpectraBase Compound ID Fl1VGXAxauK
InChI InChI=1S/C20H30BrNO3/c1-2-3-4-5-6-7-8-11-16-25-19(23)14-15-22-20(24)17-12-9-10-13-18(17)21/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,22,24)
InChIKey XCCAPTHWPPTKGA-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 E6tBlRMXJm
Name .beta.-Alanine, N-(2-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.140906827 u
Formula C20H30BrNO3
InChI InChI=1S/C20H30BrNO3/c1-2-3-4-5-6-7-8-11-16-25-19(23)14-15-22-20(24)17-12-9-10-13-18(17)21/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,22,24)
InChIKey XCCAPTHWPPTKGA-UHFFFAOYSA-N
Molecular Weight 412.368 g/mol
SMILES C1=CC=CC(=C1C(NCCC(OCCCCCCCCCC)=O)=O)Br