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L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester
SpectraBase Compound ID Gm4wo4urZrH
InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-32-27(30)25(22(2)3)28-26(29)23-19-16-17-20-24(23)31-4/h16-17,19-20,22,25H,5-15,18,21H2,1-4H3,(H,28,29)
InChIKey SGVAVDMLAYJNGH-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBJd2VASaDA
Name L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-32-27(30)25(22(2)3)28-26(29)23-19-16-17-20-24(23)31-4/h16-17,19-20,22,25H,5-15,18,21H2,1-4H3,(H,28,29)
InChIKey SGVAVDMLAYJNGH-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES C1=CC(=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCC)=O)OC