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1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, decyl ester
SpectraBase Compound ID 65KTQeGlyxS
InChI InChI=1S/C18H33NO4/c1-3-4-5-6-7-8-9-12-15-23-16(20)18(13-10-11-14-18)19-17(21)22-2/h3-15H2,1-2H3,(H,19,21)
InChIKey VZXMKDWYGMWOHS-UHFFFAOYSA-N
Mol Weight 327.5 g/mol
Molecular Formula C18H33NO4
Exact Mass 327.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsZfxOPbnrQ
Name 1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.240958543 u
Formula C18H33NO4
InChI InChI=1S/C18H33NO4/c1-3-4-5-6-7-8-9-12-15-23-16(20)18(13-10-11-14-18)19-17(21)22-2/h3-15H2,1-2H3,(H,19,21)
InChIKey VZXMKDWYGMWOHS-UHFFFAOYSA-N
Molecular Weight 327.465 g/mol
SMILES COC(NC1(C(OCCCCCCCCCC)=O)CCCC1)=O