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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 83MrYkkVfLg
InChI InChI=1S/C22H38N2O5/c1-10-13-29-22(27)24(9)18(16(4)5)20(25)23(8)19(17(6)7)21(26)28-14-11-12-15(2)3/h1,15-19H,11-14H2,2-9H3
InChIKey GNGJTKWJRPNDOH-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjUrhqsq5Q4
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/c1-10-13-29-22(27)24(9)18(16(4)5)20(25)23(8)19(17(6)7)21(26)28-14-11-12-15(2)3/h1,15-19H,11-14H2,2-9H3
InChIKey GNGJTKWJRPNDOH-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES C#CCOC(N(C(C(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O)C(C)C)C)=O