| SpectraBase Spectrum ID |
8PliMGbIFYn |
| Name |
Iptycene-bis(iptycene-quinone) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C62H34O4 |
| InChI |
InChI=1S/C62H34O4/c63-59-51-43-27-13-1-2-14-28(27)44(30-16-4-3-15-29(30)43)52(51)60(64)56-48-36-22-10-9-21-35(36)47(55(56)59)39-25-41-42(26-40(39)48)50-38-24-12-11-23-37(38)49(41)57-58(50)62(66)54-46-33-19-7-5-17-31(33)45(53(54)61(57)65)32-18-6-8-20-34(32)46/h1-26,43-50H/t43-,44+,45-,46+,47-,48+,49+,50- |
| InChIKey |
FVDRQCGLDSTSKE-UHFFFAOYSA-N |
| Molecular Weight |
842.950 g/mol |
| SMILES |
C12=C(C(=O)C3=C(C2=O)C2c4c(cccc4)C3c3c2cccc3)C2c3c(C1c1c2cccc1)cc1C2C=4C(C=5C6c7ccccc7C(C5C(C4C(c1c3)c1ccccc21)=O)c1ccccc61)=O |
| SPLASH |
splash10-0006-0000000090-47c1f18bc7cc2719bce5 |
| Source of Spectrum |
C-120-11872-13 |
| Wiley ID |
1699980 |
