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L-Valine, N-(3-bromobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-bromobenzoyl)-, decyl ester
SpectraBase Compound ID 7LWmztjSeg6
InChI InChI=1S/C22H34BrNO3/c1-4-5-6-7-8-9-10-11-15-27-22(26)20(17(2)3)24-21(25)18-13-12-14-19(23)16-18/h12-14,16-17,20H,4-11,15H2,1-3H3,(H,24,25)
InChIKey DRPWVWMEBOPNPV-UHFFFAOYSA-N
Mol Weight 440.4 g/mol
Molecular Formula C22H34BrNO3
Exact Mass 439.172207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91QvKiFdZ0F
Name L-Valine, N-(3-bromobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.172206956 u
Formula C22H34BrNO3
InChI InChI=1S/C22H34BrNO3/c1-4-5-6-7-8-9-10-11-15-27-22(26)20(17(2)3)24-21(25)18-13-12-14-19(23)16-18/h12-14,16-17,20H,4-11,15H2,1-3H3,(H,24,25)
InChIKey DRPWVWMEBOPNPV-UHFFFAOYSA-N
Molecular Weight 440.422 g/mol
SMILES CCCCCCCCCCOC(C(NC(C1=CC(=CC=C1)Br)=O)C(C)C)=O