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L-Valine, N-methyl-N-(2'-cyanobiphenyl-4-ylmethyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-methyl-N-(2'-cyanobiphenyl-4-ylmethyl)-, methyl ester
SpectraBase Compound ID A8zit7MAuY5
InChI InChI=1S/C21H24N2O2/c1-15(2)20(21(24)25-4)23(3)14-16-9-11-17(12-10-16)19-8-6-5-7-18(19)13-22/h5-12,15,20H,14H2,1-4H3
InChIKey CXPOMDBIUSJXLE-UHFFFAOYSA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtPxUqMr1rE
Name L-Valine, N-methyl-N-(2'-cyanobiphenyl-4-ylmethyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.183778019 u
Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-15(2)20(21(24)25-4)23(3)14-16-9-11-17(12-10-16)19-8-6-5-7-18(19)13-22/h5-12,15,20H,14H2,1-4H3
InChIKey CXPOMDBIUSJXLE-UHFFFAOYSA-N
Molecular Weight 336.435 g/mol
SMILES C1(=CC=C(C=C1)CN(C(C(OC)=O)C(C)C)C)C1=CC=CC=C1C#N