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dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester

View entire compound with spectra: 1 NMR

dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester
SpectraBase Compound ID Fd82LpDruhW
InChI InChI=1S/C21H37NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h2,18-19H,6,8-17H2,1,3-5H3
InChIKey ZUKNCUFUOADQOB-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 G0JEtz9ZaOr
Name dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.272258671 u
Formula C21H37NO4
InChI InChI=1S/C21H37NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h2,18-19H,6,8-17H2,1,3-5H3
InChIKey ZUKNCUFUOADQOB-UHFFFAOYSA-N
Molecular Weight 367.530 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)N(C)C(=O)OCCC#C)(C)C