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Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, octyl ester
SpectraBase Compound ID KKEqCUODWxp
InChI InChI=1S/C23H44N2O5/c1-9-11-12-13-14-15-16-30-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)29-10-2/h17-20H,9-16H2,1-8H3
InChIKey JVTTUCJWXVYNPS-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H44N2O5
Exact Mass 428.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3GNqSHLoug
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-9-11-12-13-14-15-16-30-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)29-10-2/h17-20H,9-16H2,1-8H3
InChIKey JVTTUCJWXVYNPS-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES CCOC(N(C(C(N(C(C(OCCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O