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Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, propyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, propyl ester
SpectraBase Compound ID BH3CnRup8QE
InChI InChI=1S/C19H32N2O5/c1-9-11-25-18(23)16(14(5)6)20(7)17(22)15(13(3)4)21(8)19(24)26-12-10-2/h2,13-16H,9,11-12H2,1,3-8H3
InChIKey ZEMONNYKAPIOPL-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C19H32N2O5
Exact Mass 368.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DirGFRh96pv
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.231122133 u
Formula C19H32N2O5
InChI InChI=1S/C19H32N2O5/c1-9-11-25-18(23)16(14(5)6)20(7)17(22)15(13(3)4)21(8)19(24)26-12-10-2/h2,13-16H,9,11-12H2,1,3-8H3
InChIKey ZEMONNYKAPIOPL-UHFFFAOYSA-N
Molecular Weight 368.474 g/mol
SMILES C#CCOC(N(C(C(N(C(C(C)C)C(OCCC)=O)C)=O)C(C)C)C)=O