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13-Cyclopent-2-enyl-tridec-4-enoic acid, pyrrolidide

View entire compound with spectra: 1 NMR, and 1 FTIR

13-Cyclopent-2-enyl-tridec-4-enoic acid, pyrrolidide
SpectraBase Compound ID FruZCCZhpij
InChI InChI=1S/C22H37NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h6,8,11,16,21H,1-5,7,9-10,12-15,17-20H2/b8-6+
InChIKey GQUDJNOZQLSTTE-SOFGYWHQSA-N
Mol Weight 331.5 g/mol
Molecular Formula C22H37NO
Exact Mass 331.287515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtdopdqfMmY
Name 13-Cyclopent-2-enyl-tridec-4-enoic acid, pyrrolidide
Comments Computed using HOSE algorithm
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Exact Mass 331.287514814 u
Formula C22H37NO
InChI InChI=1S/C22H37NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h6,8,11,16,21H,1-5,7,9-10,12-15,17-20H2/b8-6+
InChIKey GQUDJNOZQLSTTE-SOFGYWHQSA-N
Molecular Weight 331.544 g/mol
SMILES C1(CCC=C1)CCCCCCCC\C=C\CCC(N1CCCC1)=O