| SpectraBase Spectrum ID |
Jae5fyfyt4X |
| Name |
7-(2-Cyanoethylthio)-2,3,6-tris(methoxycarbonyl)tetrathiafulvalene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13NO6S5 |
| InChI |
InChI=1S/C15H13NO6S5/c1-20-10(17)7-8(11(18)21-2)25-14(24-7)15-26-9(12(19)22-3)13(27-15)23-6-4-5-16/h4,6H2,1-3H3 |
| InChIKey |
VSPHISYVQYBDTB-UHFFFAOYSA-N |
| Molecular Weight |
463.570 g/mol |
| SMILES |
C1(=C(SC(S1)=C1SC(C(=O)OC)=C(S1)SCCC#N)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-03di-0030900000-dc54e3e84dece5c5a79f |
| Source of Spectrum |
SO-0-525-5 |
| Synonyms |
4,5-dimethyl 2-{4-[(2-cyanoethyl)sulfanyl]-5-(methoxycarbonyl)-2H-1,3-dithiol-2-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Wiley ID |
1545640 |
