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 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |