| SpectraBase Spectrum ID |
K6hPr3xr3gd |
| Name |
2-benzyl-5-butyl-4-(p-tolylsulfonyl)-1H-pyrrol-3-ol |
| Alternate Name(s) |
2-benzyl-5-butyl-4-tosyl-1H-pyrrol-3-ol
5-butyl-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1H-pyrrol-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO3S |
| InChI |
InChI=1S/C22H25NO3S/c1-3-4-10-19-22(27(25,26)18-13-11-16(2)12-14-18)21(24)20(23-19)15-17-8-6-5-7-9-17/h5-9,11-14,23-24H,3-4,10,15H2,1-2H3 |
| InChIKey |
TUCZARJTGZOABA-UHFFFAOYSA-N |
| Molecular Weight |
383.506 g/mol |
| SMILES |
[nH]1c(c(c(c1Cc1ccccc1)O)S(=O)(=O)c1ccc(cc1)C)CCCC |
| SPLASH |
splash10-0006-9004000000-75be8704a6a6ae568477 |
| Source of Spectrum |
J-65-4548-7 |
| Wiley ID |
1532738 |
