| SpectraBase Spectrum ID |
4q5Zsnc6NmR |
| Name |
2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole |
| Appearance |
Bright yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.010391408 u |
| Formula |
C21H23NOS6 |
| InChI |
InChI=1S/C21H23NOS6/c1-4-10-24-18-19(25-11-5-2)29-21(28-18)20-26-16-12-22(13-17(16)27-20)14-6-8-15(23-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3 |
| InChIKey |
HAFOFGFFALRNOD-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400502t |
| Molecular Weight |
497.781 g/mol |
| Reported Formula |
C21H23NOS6 |
| SMILES |
C1(=CC=C(C=C1)N1C=C2C(=C1)SC(S2)=C1SC(=C(S1)SCCC)SCCC)OC |
| SPLASH |
splash10-0002-0000900000-c484652c397b92cbe9a4 |
| Source of Spectrum |
JOC-78-4910-5a (DOI: 10.1021/jo400502t) |
| Wiley ID |
1912131 |
![2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole](/api/spectrum/4q5Zsnc6NmR/structure.png?h=300&w=458 "2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole")
