| SpectraBase Spectrum ID |
LTqPu7lmme0 |
| Name |
2,3-Di(4-tert-butylphenyl)-6,13-dihydro-6.13-theno-pentacene-15,16-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H42O2 |
| InChI |
InChI=1S/C44H42O2/c1-43(2,3)31-15-11-25(12-16-31)33-21-29-23-37-38(24-30(29)22-34(33)26-13-17-32(18-14-26)44(4,5)6)40-36-20-28-10-8-7-9-27(28)19-35(36)39(37)41(45)42(40)46/h7-24,39-42,45-46H,1-6H3/t39-,40-,41?,42?/m0/s1 |
| InChIKey |
KAPJZQFTRWFVMX-YZNAZWRISA-N |
| Molecular Weight |
602.818 g/mol |
| SMILES |
OC1[C@]2(c3c([C@](C1O)(c1c2cc2c(c1)cc(c(c2)-c1ccc(C(C)(C)C)cc1)-c1ccc(C(C)(C)C)cc1)[H])cc1c(c3)cccc1)[H] |
| SPLASH |
splash10-0006-0000090000-ccf8ebd4c1315c47c1aa |
| Source of Spectrum |
J-73-5512-6b |
| Wiley ID |
1668483 |
