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1-[(2-E,4-E,9-E)-10-(3,4-METHYLENEDIOXYPHENYL)-2,4,9-UNDECATRIENOYL]-PYRROLIDINE
SpectraBase Compound ID IDeqtlsEfcN
InChI InChI=1S/C22H27NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h4,6-8,11-14,17H,1-3,5,9-10,15-16,18H2/b6-4+,11-7+,12-8+
InChIKey NYSPLUVUHIKYHV-AWHUYLLYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbBnyMigjnG
Name 1-[(2E,4E,10E)-11-(3,4-Methylenedioxyphenyl)-2,4,9-undecatrienoyl]pyrrolidine
Appearance White solid
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Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h4,6-8,11-14,17H,1-3,5,9-10,15-16,18H2/b6-4+,11-7+,12-8+
InChIKey NYSPLUVUHIKYHV-AWHUYLLYSA-N
Instrument Name Waters Autospec Premier P776
Ionization Type EI
Literature Reference DOI 10.1021/np100606u
Molecular Weight 353.462 g/mol
Reported Formula C22H27NO3
SMILES c12cc(ccc2OCO1)\C=C\CCCC\C=C\C=C\C(N1CCCC1)=O
SPLASH splash10-0udr-4920000000-26102f1f9edc105db398
Source of Spectrum G4-74-48-7
Wiley ID 1849020