| SpectraBase Spectrum ID |
LCTQ4dI77rX |
| Name |
2-(4-Methyl-4',5'-dipentyltetrathiafulvalenyl-5-carbonyloxymethyl)-13,13,14,14-tetracyanoanthraquinodimethane |
| Alternate Name(s) |
2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylic acid [9,10-bis(dicyanomethylidene)-2-anthracenyl]methyl ester
[9,10-bis(dicyanomethylene)-2-anthryl]methyl 2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylate
[9,10-bis(dicyanomethylidene)anthracen-2-yl]methyl 2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H34N4O2S4 |
| InChI |
InChI=1S/C39H34N4O2S4/c1-4-6-8-14-32-33(15-9-7-5-2)48-39(47-32)38-46-24(3)36(49-38)37(44)45-23-25-16-17-30-31(18-25)35(27(21-42)22-43)29-13-11-10-12-28(29)34(30)26(19-40)20-41/h10-13,16-18H,4-9,14-15,23H2,1-3H3 |
| InChIKey |
QTACAQRAKVINAJ-UHFFFAOYSA-N |
| Molecular Weight |
718.967 g/mol |
| SMILES |
C=1(SC(=C2SC(CCCCC)=C(S2)CCCCC)SC1C)C(OCc1cc2C(c3ccccc3C(c2cc1)=C(C#N)C#N)=C(C#N)C#N)=O |
| SPLASH |
splash10-0a4i-0009000300-33a75b85e89dc44a4a15 |
| Source of Spectrum |
J-66-4522-11 |
| Wiley ID |
1535427 |
