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2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl ester
SpectraBase Compound ID 6OIsazHVewN
InChI InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h6,12H,3,9-11H2,1-2H3,(H,15,17)
InChIKey TYKGGJIMFGHDCW-UHFFFAOYSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqKZWpdMjju
Name 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 263.115758027 u
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h6,12H,3,9-11H2,1-2H3,(H,15,17)
InChIKey TYKGGJIMFGHDCW-UHFFFAOYSA-N
Molecular Weight 263.293 g/mol
SMILES C(C(C(OCC#CC)=O)NC(=O)OCC#CC)C=C