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L-Norvalyl-L-norvaline, N-propargyloxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Norvalyl-L-norvaline, N-propargyloxycarbonyl-, butyl ester
SpectraBase Compound ID 5P4JJSA6nP
InChI InChI=1S/C18H30N2O5/c1-5-9-13-24-17(22)15(11-7-3)19-16(21)14(10-6-2)20-18(23)25-12-8-4/h4,14-15H,5-7,9-13H2,1-3H3,(H,19,21)(H,20,23)
InChIKey KBKIXWOPUFTXGG-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C18H30N2O5
Exact Mass 354.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXePGhhLCOS
Name L-Norvalyl-L-norvaline, N-propargyloxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.215472069 u
Formula C18H30N2O5
InChI InChI=1S/C18H30N2O5/c1-5-9-13-24-17(22)15(11-7-3)19-16(21)14(10-6-2)20-18(23)25-12-8-4/h4,14-15H,5-7,9-13H2,1-3H3,(H,19,21)(H,20,23)
InChIKey KBKIXWOPUFTXGG-UHFFFAOYSA-N
Molecular Weight 354.447 g/mol
SMILES C#CCOC(NC(C(NC(C(OCCCC)=O)CCC)=O)CCC)=O