| SpectraBase Spectrum ID |
2wg5USUrsBf |
| Name |
(10S,10aS)-10-Bromo-7-methyl-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 |
314.992862867 u |
| Formula |
C12H14BrNO2S |
| InChI |
InChI=1S/C12H14BrNO2S/c1-8-4-5-9-11(7-8)17(15,16)14-6-2-3-10(14)12(9)13/h4-5,7,10,12H,2-3,6H2,1H3/t10-,12-/m0/s1 |
| InChIKey |
CDTWREFSFLBUCB-JQWIXIFHSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
316.213 g/mol |
| Optical Rotation |
[a]D20 = +26.0 (c = 1.0, CH2Cl2) |
| Quality |
179 |
| Reported Formula |
C12H14NO2SBr |
| SMILES |
C1(=CC2=C(C=C1)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(Br)[H])C |
| SPLASH |
splash10-00dr-1930000000-c9d3664dd82148d21ef0 |
| Sample Comments |
90% ee |
| Source of Spectrum |
QE-28-SM29-2f (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902413 |
![(10S,10aS)-10-Bromo-7-methyl-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/2wg5USUrsBf/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-7-methyl-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
