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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(2-bromobenzoyl)-, undecyl ester
SpectraBase Compound ID BIXVr0JREW0
InChI InChI=1S/C21H32BrNO3/c1-2-3-4-5-6-7-8-9-12-17-26-20(24)15-16-23-21(25)18-13-10-11-14-19(18)22/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,23,25)
InChIKey WQDHVPAEIOKYRO-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C21H32BrNO3
Exact Mass 425.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhsbtXq4O0E
Name .beta.-Alanine, N-(2-bromobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.156556891 u
Formula C21H32BrNO3
InChI InChI=1S/C21H32BrNO3/c1-2-3-4-5-6-7-8-9-12-17-26-20(24)15-16-23-21(25)18-13-10-11-14-19(18)22/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,23,25)
InChIKey WQDHVPAEIOKYRO-UHFFFAOYSA-N
Molecular Weight 426.395 g/mol
SMILES C1=CC=CC(=C1C(NCCC(OCCCCCCCCCCC)=O)=O)Br