| SpectraBase Spectrum ID |
HkMTJpJFXVa |
| Name |
Iptycene-quinone-(dibenzo / dinaphtho) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H24O2 |
| InChI |
InChI=1S/C42H24O2/c43-41-37-33-25-13-5-7-15-27(25)34(28-16-8-6-14-26(28)33)38(37)42(44)40-36-30-18-22-10-2-1-9-21(22)17-29(30)35(39(40)41)31-19-23-11-3-4-12-24(23)20-32(31)36/h1-20,33-36H/t33-,34+,35-,36+ |
| InChIKey |
UFGVNGQSSGTZJQ-VKAPFSNZSA-N |
| Molecular Weight |
560.652 g/mol |
| SMILES |
C12=C(C(=O)C3=C(C2=O)[C@]2(c4c(cc5c(c4)cccc5)[C@@]3(c3c2cc2c(cccc2)c3)[H])[H])[C@@]2(c3c([C@]1(c1c2cccc1)[H])cccc3)[H] |
| SPLASH |
splash10-03di-0000090000-faf72cd7d7d4a623c459 |
| Source of Spectrum |
C-120-11872-11 |
| Wiley ID |
1714427 |
