| SpectraBase Spectrum ID |
J446yP2B0uQ |
| Name |
2-(2-benzo[g][1,3]benzothiazolyl)-5,5-dimethylcyclohexane-1,3-dione |
| Alternate Name(s) |
2-benzo[g][1,3]benzothiazol-2-yl-5,5-dimethyl-cyclohexane-1,3-dione
2-benzo[g][1,3]benzothiazol-2-yl-5,5-dimethyl-cyclohexane-1,3-quinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H17NO2S |
| InChI |
InChI=1S/C19H17NO2S/c1-19(2)9-14(21)16(15(22)10-19)18-20-13-8-7-11-5-3-4-6-12(11)17(13)23-18/h3-8,16H,9-10H2,1-2H3 |
| InChIKey |
IIQHXKCBAOTLCC-UHFFFAOYSA-N |
| Molecular Weight |
323.410 g/mol |
| SMILES |
c1(sc2c3c(cccc3)ccc2n1)C1C(CC(CC1=O)(C)C)=O |
| SPLASH |
splash10-00dl-7009000000-702e42d45cf2148231d7 |
| Source of Spectrum |
Y-28-761-10 |
| Wiley ID |
1322480 |
![2-(2-benzo[g][1,3]benzothiazolyl)-5,5-dimethylcyclohexane-1,3-dione](/api/spectrum/J446yP2B0uQ/structure.png?h=300&w=458 "2-(2-benzo[g][1,3]benzothiazolyl)-5,5-dimethylcyclohexane-1,3-dione")
