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L-Isoleucine, N-propargyloxycarbonyl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-propargyloxycarbonyl-, undecyl ester
SpectraBase Compound ID BCgxfI0Z2Od
InChI InChI=1S/C21H37NO4/c1-5-8-9-10-11-12-13-14-15-17-25-20(23)19(18(4)7-3)22-21(24)26-16-6-2/h2,18-19H,5,7-17H2,1,3-4H3,(H,22,24)
InChIKey SQUCVVRSPWPGHV-UHFFFAOYSA-N
Mol Weight 367.5 g/mol
Molecular Formula C21H37NO4
Exact Mass 367.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrDKJILgbr6
Name L-Isoleucine, N-propargyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.272258671 u
Formula C21H37NO4
InChI InChI=1S/C21H37NO4/c1-5-8-9-10-11-12-13-14-15-17-25-20(23)19(18(4)7-3)22-21(24)26-16-6-2/h2,18-19H,5,7-17H2,1,3-4H3,(H,22,24)
InChIKey SQUCVVRSPWPGHV-UHFFFAOYSA-N
Molecular Weight 367.530 g/mol
SMILES C(C(NC(OCC#C)=O)C(C)CC)(OCCCCCCCCCCC)=O