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L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester
SpectraBase Compound ID 6PWY75dqTif
InChI InChI=1S/C16H27NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h2,13-14H,6,8-12H2,1,3-5H3/t14-/m0/s1
InChIKey OYYVPTHZSQQGLI-AWEZNQCLSA-N
Mol Weight 297.4 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsWtCKrfv4Y
Name L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 297.194008349 u
Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-6-8-10-20-15(18)14(12-13(3)4)17(5)16(19)21-11-9-7-2/h2,13-14H,6,8-12H2,1,3-5H3/t14-/m0/s1
InChIKey OYYVPTHZSQQGLI-AWEZNQCLSA-N
Molecular Weight 297.395 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCC#C)(C(OCCCC)=O)[H]