| SpectraBase Spectrum ID |
8wpE2orhD0 |
| Name |
1,2-Butanediol, 4-(1H-pyrrol-1-yl)-, 1-(4-methylbenzenesulfonate) |
| Alternate Name(s) |
2-Hydroxy-4-(1H-pyrrol-1-yl)butyl 4-methylbenzenesulfonate
4-N-pyrrolylbutane-1,2-diol 1-p-toluenesulfonate |
| CAS Registry Number |
106681-47-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19NO4S |
| InChI |
InChI=1S/C15H19NO4S/c1-13-4-6-15(7-5-13)21(18,19)20-12-14(17)8-11-16-9-2-3-10-16/h2-7,9-10,14,17H,8,11-12H2,1H3 |
| InChIKey |
CPZXUUXQZAXPMZ-UHFFFAOYSA-N |
| Molecular Weight |
309.380 g/mol |
| SMILES |
OC(CC[n]1cccc1)COS(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-001i-9200000000-3df854a279b4bac7aadd |
| Source of Spectrum |
J-52-824-0 |
| Wiley ID |
1310541 |
