| SpectraBase Spectrum ID |
5PTIPk2111 |
| Name |
3-(Phenylsulfonylthio)guaiazulene |
| Alternate Name(s) |
S-(5-isopropyl-3,8-dimethyl-1-azulenyl) benzenesulfonothioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O2S2 |
| InChI |
InChI=1S/C21H22O2S2/c1-14(2)17-11-10-15(3)21-19(13-17)16(4)12-20(21)24-25(22,23)18-8-6-5-7-9-18/h5-14H,1-4H3 |
| InChIKey |
HYLUOXUECLDWIM-UHFFFAOYSA-N |
| Molecular Weight |
370.525 g/mol |
| SMILES |
c12c(c(SS(=O)(=O)c3ccccc3)cc1C)c(ccc(c2)C(C)C)C |
| SPLASH |
splash10-000i-0009000000-7733c3605fcdabc6ec52 |
| Source of Spectrum |
AJ-69-2003-23 |
| Wiley ID |
773665 |
