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

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-bromobenzoyl)-, nonyl ester
SpectraBase Compound ID 99Q8H02tHQZ
InChI InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-11-14-24-19(23)15(2)21-18(22)16-12-9-10-13-17(16)20/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H,21,22)
InChIKey MHSYUYMFTAMUJQ-UHFFFAOYSA-N
Mol Weight 398.34 g/mol
Molecular Formula C19H28BrNO3
Exact Mass 397.125257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e0z55Epg3f
Name L-Alanine, N-(2-bromobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.125256763 u
Formula C19H28BrNO3
InChI InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-11-14-24-19(23)15(2)21-18(22)16-12-9-10-13-17(16)20/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H,21,22)
InChIKey MHSYUYMFTAMUJQ-UHFFFAOYSA-N
Molecular Weight 398.341 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCC)=O)C)=O)Br