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2,3 : 4,5-bis(1',2'-[2.2]Paracyclophane-1',9'-dieno)cyclopent-2-enone
SpectraBase Compound ID KE7gjAM7kjc
InChI InChI=1S/C33H22O/c34-33-31-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)29(31)30-26-15-7-22(8-16-26)2-4-24-11-19-28(20-12-24)32(30)33/h1-20,29,31H/b3-1-,4-2-,22-2-,24-4-,30-26-,32-28+
InChIKey BVLDXEMVIMJDJR-KGESHFTRSA-N
Mol Weight 434.5 g/mol
Molecular Formula C33H22O
Exact Mass 434.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELbMoichatJ
Name 2,3 : 4,5-bis(1',2'-[2.2]Paracyclophane-1',9'-dieno)cyclopent-2-enone
Comments Less than 3 mono-isotopic peaks
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Formula C33H22O
InChI InChI=1S/C33H22O/c34-33-31-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)29(31)30-26-15-7-22(8-16-26)2-4-24-11-19-28(20-12-24)32(30)33/h1-20,29,31H/b3-1-,4-2-,22-2-,24-4-,30-26-,32-28+
InChIKey BVLDXEMVIMJDJR-KGESHFTRSA-N
Molecular Weight 434.538 g/mol
SMILES C12=C(C3c4ccc(\C=C/c5ccc(C3C2=O)cc5)cc4)c2ccc(cc2)\C=C/c2ccc1cc2
SPLASH splash10-0a59-0000900000-1f858f11164a7dc9bca1
Source of Spectrum U1-1998-2303-8
Wiley ID 751808