| SpectraBase Spectrum ID |
2oyBTN3NUoA |
| Name |
6-(2-hydroxypropan-2-yl)-3-(4-(4-methoxyphenylsulfonamido)butyl)azulene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H29NO6S |
| InChI |
InChI=1S/C25H29NO6S/c1-25(2,29)18-7-13-21-17(16-23(24(27)28)22(21)14-8-18)6-4-5-15-26-33(30,31)20-11-9-19(32-3)10-12-20/h7-14,16,26,29H,4-6,15H2,1-3H3,(H,27,28) |
| InChIKey |
GGTVAMVQWKBOSH-UHFFFAOYSA-N |
| Molecular Weight |
471.568 g/mol |
| SMILES |
OC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2ccc(cc2)OC)(=O)=O)cc1)(C)C |
| SPLASH |
splash10-0002-0900000000-6af672920ad68ff865e4 |
| Source of Spectrum |
G2-4-585-10f |
| Synonyms |
6-[(1-Hydroxy-1-methyl)ethyl]-3-[4-(4-methoxybenzenesulfonylamino)butyl]azulene-1-carboxylic acid |
| Wiley ID |
1661515 |
