| SpectraBase Spectrum ID |
BMiFws2YnaS |
| Name |
(10S,10aS)-10-Bromo-8-methoxy-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 |
330.987777486 u |
| Formula |
C12H14BrNO3S |
| InChI |
InChI=1S/C12H14BrNO3S/c1-17-8-4-5-11-9(7-8)12(13)10-3-2-6-14(10)18(11,15)16/h4-5,7,10,12H,2-3,6H2,1H3/t10-,12-/m0/s1 |
| InChIKey |
JHXKCMSVQMACPH-JQWIXIFHSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
332.212 g/mol |
| Optical Rotation |
[a]D20 = +5.6 (c = 0.7, CH2Cl2) |
| Quality |
141 |
| Reported Formula |
C12H14NO3SBr |
| SMILES |
C1=CC2=C(C=C1OC)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(Br)[H] |
| SPLASH |
splash10-0v4l-2960000000-d79e44ab2f8022c0da9a |
| Sample Comments |
67% ee |
| Source of Spectrum |
QE-28-SM28-2d (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902411 |
![(10S,10aS)-10-Bromo-8-methoxy-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/BMiFws2YnaS/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-8-methoxy-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
