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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, isobutyl ester
SpectraBase Compound ID GiDq00odklr
InChI InChI=1S/C20H34N2O5/c1-10-11-26-20(25)22(9)16(14(4)5)18(23)21(8)17(15(6)7)19(24)27-12-13(2)3/h1,13-17H,11-12H2,2-9H3
InChIKey VSMJLSUSAKBLTE-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C20H34N2O5
Exact Mass 382.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlLgiAWp0DR
Name Valylvaline, N,N'-dimethyl-N'-propargyloxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.246772198 u
Formula C20H34N2O5
InChI InChI=1S/C20H34N2O5/c1-10-11-26-20(25)22(9)16(14(4)5)18(23)21(8)17(15(6)7)19(24)27-12-13(2)3/h1,13-17H,11-12H2,2-9H3
InChIKey VSMJLSUSAKBLTE-UHFFFAOYSA-N
Molecular Weight 382.501 g/mol
SMILES C#CCOC(N(C(C(N(C(C(C)C)C(OCC(C)C)=O)C)=O)C(C)C)C)=O