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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, dodecyl ester
SpectraBase Compound ID 7DSjFUDUDsp
InChI InChI=1S/C27H52N2O5/c1-9-11-12-13-14-15-16-17-18-19-20-34-26(31)24(22(5)6)28(7)25(30)23(21(3)4)29(8)27(32)33-10-2/h21-24H,9-20H2,1-8H3
InChIKey DTFRDLSGIWINJI-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C27H52N2O5
Exact Mass 484.387623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E2S0tCdGn6
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.387622777 u
Formula C27H52N2O5
InChI InChI=1S/C27H52N2O5/c1-9-11-12-13-14-15-16-17-18-19-20-34-26(31)24(22(5)6)28(7)25(30)23(21(3)4)29(8)27(32)33-10-2/h21-24H,9-20H2,1-8H3
InChIKey DTFRDLSGIWINJI-UHFFFAOYSA-N
Molecular Weight 484.722 g/mol
SMILES CCOC(N(C(C(N(C(C(OCCCCCCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O