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L-Valine, N-(3-methylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-methylbenzoyl)-, undecyl ester
SpectraBase Compound ID ANzIdZD5hlX
InChI InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-17-28-24(27)22(19(2)3)25-23(26)21-16-14-15-20(4)18-21/h14-16,18-19,22H,5-13,17H2,1-4H3,(H,25,26)
InChIKey WWLJAFJYLUAJTR-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ybHBS08Rj5
Name L-Valine, N-(3-methylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-17-28-24(27)22(19(2)3)25-23(26)21-16-14-15-20(4)18-21/h14-16,18-19,22H,5-13,17H2,1-4H3,(H,25,26)
InChIKey WWLJAFJYLUAJTR-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1(=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)C