| SpectraBase Spectrum ID |
8F6d3W6Sr9p |
| Name |
4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfonylbenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O4S |
| InChI |
InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24) |
| InChIKey |
KQMSXVAVLCYBDG-UHFFFAOYSA-N |
| Molecular Weight |
386.506 g/mol |
| SMILES |
OC(c1ccc(cc1)S(=O)(=O)c1cc2c(cc1C)C(CCC2(C)C)(C)C)=O |
| SPLASH |
splash10-00di-0009000000-7a220bda291814eeaea5 |
| Source of Spectrum |
E1-39-3561-4 |
| Synonyms |
4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfonyl]benzoic acid |
| Wiley ID |
1598955 |
