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(2E,4E)-5-[3-chloro-5-[(1E,3E,5E)-6-(9-julolidinyl)hexa-1,3,5-trienyl]pyrazin-2-yl]-penta-2,4-dienal
SpectraBase Compound ID JsaCXqvJubS
InChI InChI=1S/C27H26ClN3O/c28-27-25(14-6-3-7-17-32)29-20-24(30-27)13-5-2-1-4-10-21-18-22-11-8-15-31-16-9-12-23(19-21)26(22)31/h1-7,10,13-14,17-20H,8-9,11-12,15-16H2/b2-1+,7-3+,10-4+,13-5+,14-6+
InChIKey DKHXVKFGJCAPOA-QXHKMQJWSA-N
Mol Weight 443.98 g/mol
Molecular Formula C27H26ClN3O
Exact Mass 443.17644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5pQvMPaj87
Name (2E,4E)-5-[3-chloro-5-[(1E,3E,5E)-6-(9-julolidinyl)hexa-1,3,5-trienyl]pyrazin-2-yl]-penta-2,4-dienal
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Formula C27H26ClN3O
InChI InChI=1S/C27H26ClN3O/c28-27-25(14-6-3-7-17-32)29-20-24(30-27)13-5-2-1-4-10-21-18-22-11-8-15-31-16-9-12-23(19-21)26(22)31/h1-7,10,13-14,17-20H,8-9,11-12,15-16H2/b2-1+,7-3+,10-4+,13-5+,14-6+
InChIKey DKHXVKFGJCAPOA-QXHKMQJWSA-N
Molecular Weight 443.978 g/mol
SMILES c12c3cc(cc2CCCN1CCC3)\C=C\C=C\C=C\c1nc(Cl)c(nc1)\C=C\C=C\C=O
SPLASH splash10-01ox-9466300000-9007c156afa01b2ad0a8
Source of Spectrum F-67-2295-11a
Wiley ID 1686054