| SpectraBase Spectrum ID |
5MOaRlVoNv3 |
| Name |
(10S,10aS)-10-Bromo-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.977212802 u |
| Formula |
C11H12BrNO2S |
| InChI |
InChI=1S/C11H12BrNO2S/c12-11-8-4-1-2-6-10(8)16(14,15)13-7-3-5-9(11)13/h1-2,4,6,9,11H,3,5,7H2/t9-,11-/m0/s1 |
| InChIKey |
NXGPRONIAAJGRK-ONGXEEELSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
302.186 g/mol |
| Optical Rotation |
[a]D20 = +49.2, +50.7 (c = 1.0, CH2Cl2) |
| Quality |
173 |
| Reported Formula |
C11H12NO2SBr |
| SMILES |
[C@@]1([C@]2(N(S(C3=C1C=CC=C3)(=O)=O)CCC2)[H])(Br)[H] |
| SPLASH |
splash10-0adi-1930000000-92ce0bcac45491efc975 |
| Sample Comments |
er = 92:8, 96:4 |
| Source of Spectrum |
QE-28-9-2a (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902398 |
![(10S,10aS)-10-Bromo-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/5MOaRlVoNv3/structure.png?h=300&w=458 "(10S,10aS)-10-Bromo-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
