| SpectraBase Spectrum ID |
EAhDE1KY8e0 |
| Name |
7-(1',2',3',4',5',6',7'-Heptaphenyl)-1,3,5-cycloheptatrienyl-isocyanate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H35NO |
| InChI |
InChI=1S/C50H35NO/c52-36-51-50(43-34-20-7-21-35-43)48(41-30-16-5-17-31-41)46(39-26-12-3-13-27-39)44(37-22-8-1-9-23-37)45(38-24-10-2-11-25-38)47(40-28-14-4-15-29-40)49(50)42-32-18-6-19-33-42/h1-35H |
| InChIKey |
BWSFWLJSJVGWFH-UHFFFAOYSA-N |
| Molecular Weight |
665.836 g/mol |
| SMILES |
C1(C(=C(C(c2ccccc2)=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(N=C=O)c1ccccc1 |
| SPLASH |
splash10-014j-0000079000-5dee2f5cc07e2ca7609e |
| Source of Spectrum |
MN-1999-222-1 |
| Synonyms |
7-isocyanato-1,2,3,4,5,6,7-heptaphenyl-1,3,5-cycloheptatriene |
| Wiley ID |
1546392 |
