| SpectraBase Spectrum ID |
6wpDtWM1Fn8 |
| Name |
(10R,10aR)-10-bromo-4-(trifluoromethyl)-8,9,10,10a-tetrahydro-7H-benzo[4,5]isothiazolo[2,3-a]pyridine 5,5-dioxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.980247324 u |
| Formula |
C12H13BrF3NO2S |
| InChI |
InChI=1S/C12H13BrF3NO2S/c13-9-5-2-6-17-10(9)7-3-1-4-8(12(14,15)16)11(7)20(17,18)19/h1,3-4,7,9-11H,2,5-6H2/t7?,9-,10-,11?/m1/s1 |
| InChIKey |
BMYMMFVQXQDDIR-JWKLSDCMSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
372.200 g/mol |
| Quality |
131 |
| SMILES |
C1=C(C2C(C=C1)[C@]1(N(S2(=O)=O)CCC[C@]1(Br)[H])[H])C(F)(F)F |
| SPLASH |
splash10-000i-0390000000-ec0ab49b69d0e6c42d34 |
| Source of Spectrum |
QE-28-SM31-2h' (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902415 |
![(10R,10aR)-10-bromo-4-(trifluoromethyl)-8,9,10,10a-tetrahydro-7H-benzo[4,5]isothiazolo[2,3-a]pyridine 5,5-dioxide](/api/spectrum/6wpDtWM1Fn8/structure.png?h=300&w=458 "(10R,10aR)-10-bromo-4-(trifluoromethyl)-8,9,10,10a-tetrahydro-7H-benzo[4,5]isothiazolo[2,3-a]pyridine 5,5-dioxide")
