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L-Leucine, N-(2-bromobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-bromobenzoyl)-, undecyl ester
SpectraBase Compound ID J8tSId7YPUZ
InChI InChI=1S/C24H38BrNO3/c1-4-5-6-7-8-9-10-11-14-17-29-24(28)22(18-19(2)3)26-23(27)20-15-12-13-16-21(20)25/h12-13,15-16,19,22H,4-11,14,17-18H2,1-3H3,(H,26,27)
InChIKey SAPBONNAPLGPPT-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H38BrNO3
Exact Mass 467.203507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jr4ezPzMJaV
Name L-Leucine, N-(2-bromobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.203507085 u
Formula C24H38BrNO3
InChI InChI=1S/C24H38BrNO3/c1-4-5-6-7-8-9-10-11-14-17-29-24(28)22(18-19(2)3)26-23(27)20-15-12-13-16-21(20)25/h12-13,15-16,19,22H,4-11,14,17-18H2,1-3H3,(H,26,27)
InChIKey SAPBONNAPLGPPT-UHFFFAOYSA-N
Molecular Weight 468.476 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O)Br