| SpectraBase Spectrum ID |
GSZRuVqNWUi |
| Name |
ADAMANTANE-1-CARBOXYLIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE |
| Compound Number |
4G |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C20H22F3N3O2S |
| InChI |
InChI=1S/C20H22F3N3O2S/c1-26-15-3-2-14(28-20(21,22)23)7-16(15)29-18(26)25-24-17(27)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,24,27)/b25-18-/t11-,12+,13-,19- |
| InChIKey |
XEVWCBAXNOEVDC-DKRMDUAVSA-N |
| Literature Reference Author |
P.C.FRITCH,G.MCNAUGHTON-SMITH,G.S.AMATO,J.F.BURNS,C.W.EARGLE
,R.ROELOFFS,W.HARRIS |
| Literature Reference Citation |
J.MED.CHEM.,53,887(2010) |
| Literature Reference DOI |
10.1021/jm901497b |
| Molecular Weight |
425.469 g/mol |
| Solvent |
DMSO-D6 |
| Source File Reference |
UWMZ45206 |
