| SpectraBase Spectrum ID |
Cs512jRR03O |
| Name |
N-{2-[Bis(4-tert-butylphenyl)(4-ethylphenyl)methylphenyloxy]ethoxyethyl}-N'-(2-hydroxyethoxyethyl)bis(pyrrolo[3,4-d])tetrathiafulvalene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C53H60N2O4S4 |
| InChI |
InChI=1S/C53H60N2O4S4/c1-8-37-9-11-40(12-10-37)53(41-17-13-38(14-18-41)51(2,3)4,42-19-15-39(16-20-42)52(5,6)7)43-21-23-44(24-22-43)59-32-31-58-29-26-55-35-47-48(36-55)63-50(62-47)49-60-45-33-54(34-46(45)61-49)25-28-57-30-27-56/h9-24,33-36,56H,8,25-32H2,1-7H3 |
| InChIKey |
QTBHTTTWMKZPIS-UHFFFAOYSA-N |
| Molecular Weight |
917.313 g/mol |
| SMILES |
OCCOCC[n]1cc2SC(=C3Sc4c[n](cc4S3)CCOCCOc3ccc(C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccc(cc4)CC)cc3)Sc2c1 |
| SPLASH |
splash10-0aor-0900000004-084b5df1bcbb22a11bd5 |
| Source of Spectrum |
QE-20-274-10 |
| Wiley ID |
1586637 |
![N-{2-[Bis(4-tert-butylphenyl)(4-ethylphenyl)methylphenyloxy]ethoxyethyl}-N'-(2-hydroxyethoxyethyl)bis(pyrrolo[3,4-d])tetrathiafulvalene](/api/spectrum/Cs512jRR03O/structure.png?h=300&w=458 "N-{2-[Bis(4-tert-butylphenyl)(4-ethylphenyl)methylphenyloxy]ethoxyethyl}-N'-(2-hydroxyethoxyethyl)bis(pyrrolo[3,4-d])tetrathiafulvalene")
