| SpectraBase Spectrum ID |
GcJjkMClivc |
| Name |
6-(2-hydroxypropan-2-yl)-3-(4-(4-methylphenylsulfonamido)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/c1-17-7-11-20(12-8-17)32(30,31)26-15-5-4-6-18-16-23(24(27)28)22-14-10-19(25(2,3)29)9-13-21(18)22/h7-14,16,26,29H,4-6,15H2,1-3H3,(H,27,28) |
| InChIKey |
QLJQWGMLJGEQGK-UHFFFAOYSA-N |
| Molecular Weight |
455.569 g/mol |
| SMILES |
OC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2ccc(cc2)C)(=O)=O)cc1)(C)C |
| SPLASH |
splash10-0006-9000000000-175c2e0750705e1ef362 |
| Source of Spectrum |
G2-4-585-10d |
| Synonyms |
6-[(1-Hydroxy-1-methyl)ethyl]-3-[4-(4-toluenesulfonylamino)butyl]azulene-1-carboxylic acid |
| Wiley ID |
1661517 |
