| SpectraBase Spectrum ID |
I7guGxuMS3A |
| Name |
(10S,10aS)-10-Bromo-6-(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/c13-10-7-3-1-4-8(12(14,15)16)11(7)20(18,19)17-6-2-5-9(10)17/h1,3-4,9-10H,2,5-6H2/t9-,10-/m0/s1 |
| InChIKey |
SYSOBQOMJYWGCD-UWVGGRQHSA-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 = +14.2 (c = 1.0, CH2Cl2) |
| Quality |
23 |
| Reported Formula |
C12H11NO2SF3Br |
| SMILES |
C1=C(C2=C(C=C1)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(Br)[H])C(F)(F)F |
| SPLASH |
splash10-0079-0190000000-387dfaa3eedbb70d1239 |
| Sample Comments |
62% ee |
| Source of Spectrum |
QE-28-SM31-2h (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902416 |
![(10S,10aS)-10-Bromo-6-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/I7guGxuMS3A/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-6-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
