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1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, octyl ester

View entire compound with spectra: 1 NMR

1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, octyl ester
SpectraBase Compound ID JgZdPIkXbPd
InChI InChI=1S/C19H31NO4/c1-3-5-7-8-9-12-16-23-17(21)19(13-10-11-14-19)20-18(22)24-15-6-4-2/h2H,3,5-16H2,1H3,(H,20,22)
InChIKey MUWBUTAAFDQSCM-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C19H31NO4
Exact Mass 337.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oDRgcF8dtD
Name 1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.225308478 u
Formula C19H31NO4
InChI InChI=1S/C19H31NO4/c1-3-5-7-8-9-12-16-23-17(21)19(13-10-11-14-19)20-18(22)24-15-6-4-2/h2H,3,5-16H2,1H3,(H,20,22)
InChIKey MUWBUTAAFDQSCM-UHFFFAOYSA-N
Molecular Weight 337.460 g/mol
SMILES C1CC(C(OCCCCCCCC)=O)(NC(=O)OCCC#C)CC1