| SpectraBase Spectrum ID |
7VOFa7ubbVV |
| Name |
1H-3-Iodo-4-(4-methylbenzylthio)-6-methylbenzothiopyrylium tetrafluoroborate |
| Alternate Name(s) |
3-iodo-6-methyl-4-[(4-methylbenzyl)sulfanyl]-1-benzothiopyranium tetrafluoroborate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16BF4IS2 |
| InChI |
InChI=1S/C18H16IS2.BF4/c1-12-3-6-14(7-4-12)10-21-18-15-9-13(2)5-8-17(15)20-11-16(18)19;2-1(3,4)5/h3-9,11H,10H2,1-2H3;/q+1;-1 |
| InChIKey |
CFKJODIMCMGKGO-UHFFFAOYSA-N |
| Molecular Weight |
510.154 g/mol |
| SMILES |
[B-](F)(F)(F)F.c12c(SCc3ccc(C)cc3)c(c[s+]c1ccc(c2)C)I |
| SPLASH |
splash10-0a4i-0900200000-07cbcec63b4a82f554e7 |
| Source of Spectrum |
J-63-4631-4 |
| Wiley ID |
1400433 |
