| SpectraBase Spectrum ID |
KahAWhrfbgj |
| Name |
benzyl 3-(2-chloroethyl)-5-iodo-4-methylpyrrole-2-carboxylate |
| CAS Registry Number |
104834-44-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15ClINO2 |
| InChI |
InChI=1S/C15H15ClINO2/c1-10-12(7-8-16)13(18-14(10)17)15(19)20-9-11-5-3-2-4-6-11/h2-6,18H,7-9H2,1H3 |
| InChIKey |
BONUDTSIERRTHB-UHFFFAOYSA-N |
| Molecular Weight |
403.647 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OCc1ccccc1)=O)CCCl)C)I |
| SPLASH |
splash10-0udi-0000900000-ad7105728665361e56dd |
| Source of Spectrum |
J-51-4671-0 |
| Synonyms |
benzyl 3-(2-chloroethyl)-5-iodo-4-methyl-1H-pyrrole-2-carboxylate |
| Wiley ID |
1370774 |
