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2,7-bis(Benzylidene)-9-butyl-2,3,5,6,7,8-hexahydro-4H-acridin-1-one
SpectraBase Compound ID A77JvHbkbTs
InChI InChI=1S/C31H31NO/c1-2-3-16-26-27-17-10-15-24(20-22-11-6-4-7-12-22)29(27)32-30-28(26)19-18-25(31(30)33)21-23-13-8-5-9-14-23/h4-9,11-14,20-21H,2-3,10,15-19H2,1H3/b24-20+,25-21+
InChIKey WELKQYVISCNJRP-CTWPWMDCSA-N
Mol Weight 433.6 g/mol
Molecular Formula C31H31NO
Exact Mass 433.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PPsH1evks
Name 2,7-bis(Benzylidene)-9-butyl-2,3,5,6,7,8-hexahydro-4H-acridin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C31H31NO
InChI InChI=1S/C31H31NO/c1-2-3-16-26-27-17-10-15-24(20-22-11-6-4-7-12-22)29(27)32-30-28(26)19-18-25(31(30)33)21-23-13-8-5-9-14-23/h4-9,11-14,20-21H,2-3,10,15-19H2,1H3/b24-20+,25-21+
InChIKey WELKQYVISCNJRP-CTWPWMDCSA-N
Molecular Weight 433.595 g/mol
SMILES c12nc3\C(=C\c4ccccc4)CCCc3c(c1CC\C(C2=O)=C/c1ccccc1)CCCC
SPLASH splash10-0a4i-9000100000-efc1e871af5a3b4dbffd
Source of Spectrum D1-1996-81-5
Synonyms (3E,5E)-3,5-dibenzylidene-9-butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone 3,5-bis(Benzylidene)-9-butyl-2,3,5,6,7,8-hexahydro-4H-acridin-4-one
Wiley ID 834809