| SpectraBase Spectrum ID |
9bPxyLYhu1h |
| Name |
4-(3-Iodo-1-tosyl-1H-pyrrol-2-yl)benzonitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.974243839 u |
| Formula |
C18H13IN2O2S |
| InChI |
InChI=1S/C18H13IN2O2S/c1-13-2-8-16(9-3-13)24(22,23)21-11-10-17(19)18(21)15-6-4-14(12-20)5-7-15/h2-11H,1H3 |
| InChIKey |
YVVNQFWXZXMXHY-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201600961 |
| Molecular Weight |
448.278 g/mol |
| Quality |
172 |
| Reported Formula |
C18H13 IN2O2S |
| SMILES |
C=1(N(C=CC1I)S(C=1C=CC(C)=CC1)(=O)=O)C1=CC=C(C=C1)C#N |
| SPLASH |
splash10-0006-9100300000-b0497c517a2359301637 |
| Source of Spectrum |
ACI-55-SM16-13 (DOI: 10.1002/anie.201600961) |
| Wiley ID |
1897357 |
