| SpectraBase Spectrum ID |
IDHmuPncebA |
| Name |
(10S,10aS)-10-Bromo-8-fluoro-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide |
| Appearance |
Brownish solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.967790933 u |
| Formula |
C11H11BrFNO2S |
| InChI |
InChI=1S/C11H11BrFNO2S/c12-11-8-6-7(13)3-4-10(8)17(15,16)14-5-1-2-9(11)14/h3-4,6,9,11H,1-2,5H2/t9-,11-/m0/s1 |
| InChIKey |
CZPYLQBHJDEFOI-ONGXEEELSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
320.176 g/mol |
| Optical Rotation |
[a]D20 = +30.1 (c = 0.4, CH2Cl2) |
| Quality |
120 |
| Reported Formula |
C11H11NO2SFBr |
| SMILES |
C1=CC2=C(C=C1F)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(Br)[H] |
| SPLASH |
splash10-00ds-0930000000-ce75228d07c9a35cf523 |
| Sample Comments |
64% ee |
| Source of Spectrum |
QE-28-SM28-2c (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902410 |
![(10S,10aS)-10-Bromo-8-fluoro-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/IDHmuPncebA/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-8-fluoro-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
