| SpectraBase Spectrum ID |
1v7ik8DJKHC |
| Name |
6-(2-Hydroxy-1-methyl)ethyl-3-[4-(4-toluenesulfonylamino)butyl]azulene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H29NO5S |
| InChI |
InChI=1S/C25H29NO5S/c1-17-6-10-21(11-7-17)32(30,31)26-14-4-3-5-20-15-24(25(28)29)23-13-9-19(18(2)16-27)8-12-22(20)23/h6-13,15,18,26-27H,3-5,14,16H2,1-2H3,(H,28,29) |
| InChIKey |
ZQOXIJFRZAIONL-UHFFFAOYSA-N |
| Molecular Weight |
455.569 g/mol |
| SMILES |
OCC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2ccc(cc2)C)(=O)=O)cc1)C |
| SPLASH |
splash10-0002-0900000000-6af672920ad68ff865e4 |
| Source of Spectrum |
G2-4-582-5d |
| Wiley ID |
1661526 |
![6-(2-Hydroxy-1-methyl)ethyl-3-[4-(4-toluenesulfonylamino)butyl]azulene-1-carboxylic acid](/api/spectrum/1v7ik8DJKHC/structure.png?h=300&w=458 "6-(2-Hydroxy-1-methyl)ethyl-3-[4-(4-toluenesulfonylamino)butyl]azulene-1-carboxylic acid")
