| SpectraBase Spectrum ID |
CKA2TE7b1N2 |
| Name |
Methyl 3-n-Butyl-4-(p-toluenesulfonyl)-1H-pyrrole-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4S |
| InChI |
InChI=1S/C17H21NO4S/c1-4-5-6-14-15(11-18-16(14)17(19)22-3)23(20,21)13-9-7-12(2)8-10-13/h7-11,18H,4-6H2,1-3H3 |
| InChIKey |
KNRHJGVJEMZEQD-UHFFFAOYSA-N |
| Molecular Weight |
335.418 g/mol |
| SMILES |
[nH]1c(c(c(c1)S(c1ccc(cc1)C)(=O)=O)CCCC)C(=O)OC |
| SPLASH |
splash10-0006-0094000000-5fc45039c9a23589d268 |
| Source of Spectrum |
J-73-8066-52 |
| Wiley ID |
1668703 |
