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Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, isohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID FD3eyc9vU1f
InChI InChI=1S/C22H42N2O5/c1-10-13-29-22(27)24(9)18(16(4)5)20(25)23(8)19(17(6)7)21(26)28-14-11-12-15(2)3/h15-19H,10-14H2,1-9H3
InChIKey XTHFBHXOGVDLFI-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C22H42N2O5
Exact Mass 414.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DygkLpRz4sb
Name Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.309372455 u
Formula C22H42N2O5
InChI InChI=1S/C22H42N2O5/c1-10-13-29-22(27)24(9)18(16(4)5)20(25)23(8)19(17(6)7)21(26)28-14-11-12-15(2)3/h15-19H,10-14H2,1-9H3
InChIKey XTHFBHXOGVDLFI-UHFFFAOYSA-N
Molecular Weight 414.587 g/mol
SMILES CCCOC(N(C(C(N(C(C(C)C)C(OCCCC(C)C)=O)C)=O)C(C)C)C)=O