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Valylvaline, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID 5b0vwB06mrj
InChI InChI=1S/C22H42N2O5/c1-10-11-12-13-28-21(26)19(17(6)7)23(8)20(25)18(16(4)5)24(9)22(27)29-14-15(2)3/h15-19H,10-14H2,1-9H3
InChIKey KYYNZZOTRPREBK-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 2Wbb5mFFX3Z
Name Valylvaline, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.309372455 u
Formula C22H42N2O5
InChI InChI=1S/C22H42N2O5/c1-10-11-12-13-28-21(26)19(17(6)7)23(8)20(25)18(16(4)5)24(9)22(27)29-14-15(2)3/h15-19H,10-14H2,1-9H3
InChIKey KYYNZZOTRPREBK-UHFFFAOYSA-N
Molecular Weight 414.587 g/mol
SMILES CC(C)COC(N(C(C(N(C(C(C)C)C(OCCCCC)=O)C)=O)C(C)C)C)=O