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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-bromobenzoyl)-, heptyl ester
SpectraBase Compound ID FqqzcHJbx7x
InChI InChI=1S/C20H30BrNO3/c1-4-5-6-7-10-13-25-20(24)18(14-15(2)3)22-19(23)16-11-8-9-12-17(16)21/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3,(H,22,23)
InChIKey WMZOAPNBDXNWPX-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 6P0jfnTJyFI
Name L-Leucine, N-(2-bromobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.140906827 u
Formula C20H30BrNO3
InChI InChI=1S/C20H30BrNO3/c1-4-5-6-7-10-13-25-20(24)18(14-15(2)3)22-19(23)16-11-8-9-12-17(16)21/h8-9,11-12,15,18H,4-7,10,13-14H2,1-3H3,(H,22,23)
InChIKey WMZOAPNBDXNWPX-UHFFFAOYSA-N
Molecular Weight 412.368 g/mol
SMILES C1=CC=CC(=C1C(NC(CC(C)C)C(OCCCCCCC)=O)=O)Br