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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, propargyl ester
SpectraBase Compound ID 7siOPk7LNNr
InChI InChI=1S/C19H28N2O5/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/h1-2,13-16H,11-12H2,3-8H3
InChIKey ZBGHHEPVJFADAT-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C19H28N2O5
Exact Mass 364.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COQG9yy70lX
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, propargyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.199822005 u
Formula C19H28N2O5
InChI InChI=1S/C19H28N2O5/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/h1-2,13-16H,11-12H2,3-8H3
InChIKey ZBGHHEPVJFADAT-UHFFFAOYSA-N
Molecular Weight 364.442 g/mol
SMILES C#CCOC(N(C(C(N(C(C(C)C)C(OCC#C)=O)C)=O)C(C)C)C)=O