| SpectraBase Spectrum ID |
IioRiURLgqr |
| Name |
(10S,10aS)-10-Bromo-7-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.964597259 u |
| Formula |
C12H11BrF3NO2S |
| InChI |
InChI=1S/C12H11BrF3NO2S/c13-11-8-4-3-7(12(14,15)16)6-10(8)20(18,19)17-5-1-2-9(11)17/h3-4,6,9,11H,1-2,5H2/t9-,11-/m0/s1 |
| InChIKey |
MTINKZQBOLTQQA-ONGXEEELSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
370.184 g/mol |
| Optical Rotation |
[a]D20 = +20.4 (c = 1, CH2Cl2) |
| Quality |
137 |
| Reported Formula |
C12H12NO2SF3Br |
| SMILES |
C1(=CC2=C(C=C1)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(Br)[H])C(F)(F)F |
| SPLASH |
splash10-0079-0290000000-364f6cd5e50f4cb8440d |
| Sample Comments |
75% ee |
| Source of Spectrum |
QE-28-SM30-2g (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902414 |
![(10S,10aS)-10-Bromo-7-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/IioRiURLgqr/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-7-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
