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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, isohexyl ester
SpectraBase Compound ID DwoVLdRusBF
InChI InChI=1S/C23H44N2O5/c1-10-11-14-30-23(28)25(9)19(17(4)5)21(26)24(8)20(18(6)7)22(27)29-15-12-13-16(2)3/h16-20H,10-15H2,1-9H3
InChIKey KAUHMJMFRQEOKE-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 LXPlemttHlN
Name Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-10-11-14-30-23(28)25(9)19(17(4)5)21(26)24(8)20(18(6)7)22(27)29-15-12-13-16(2)3/h16-20H,10-15H2,1-9H3
InChIKey KAUHMJMFRQEOKE-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O)C(C)C)C)=O