| SpectraBase Spectrum ID |
GyjXmSJmJMW |
| Name |
1-(Cyanoacetyl)-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-[2,1]-benzopyrazole |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12F3N3O2 |
| InChI |
InChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)7-3-1-2-4-8(7)16-17(10)9(18)5-6-15/h7,19H,1-5H2 |
| InChIKey |
WBVQGOPHIMCBSN-UHFFFAOYSA-N |
| Molecular Weight |
275.231 g/mol |
| SMILES |
OC1(N(N=C2CCCCC12)C(CC#N)=O)C(F)(F)F |
| SPLASH |
splash10-052r-4980000000-1969b0986d278f346135 |
| Source of Spectrum |
AH-139-1053-5d |
| Synonyms |
3-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-3-oxopropanenitrile
3-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-3-oxo-propanenitrile
3-Oxidanylidene-3-[3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]propanenitrile |
| Wiley ID |
1695756 |
![RAC-1-CYANOACETYL-3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOPYRAZOLE](/api/spectrum/GyjXmSJmJMW/structure.png?h=300&w=458 "RAC-1-CYANOACETYL-3,3A,4,5,6,7-HEXAHYDRO-3-TRIFLUOROMETHYL-3-HYDROXY-[2,1]-BENZOPYRAZOLE")
