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2-Aminocaprylic acid, N-methoxycarbonyl-, nonyl ester
SpectraBase Compound ID 8xPzMfHVEv
InChI InChI=1S/C19H37NO4/c1-4-6-8-10-11-12-14-16-24-18(21)17(20-19(22)23-3)15-13-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,22)
InChIKey PBHBOSRABPKVRJ-UHFFFAOYSA-N
Mol Weight 343.5 g/mol
Molecular Formula C19H37NO4
Exact Mass 343.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9gGI7pHbXv
Name 2-Aminocaprylic acid, N-methoxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.272258671 u
Formula C19H37NO4
InChI InChI=1S/C19H37NO4/c1-4-6-8-10-11-12-14-16-24-18(21)17(20-19(22)23-3)15-13-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,22)
InChIKey PBHBOSRABPKVRJ-UHFFFAOYSA-N
Molecular Weight 343.508 g/mol
SMILES C(CCC(NC(OC)=O)C(=O)OCCCCCCCCC)CCC