| SpectraBase Spectrum ID |
22ibKGR7n1y |
| Name |
(10S,10aS)-10-Iodo-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 |
348.963344802 u |
| Formula |
C11H12INO2S |
| InChI |
InChI=1S/C11H12INO2S/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 |
HVLAGDKTZKXWON-ONGXEEELSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202202267 |
| Molecular Weight |
349.186 g/mol |
| Optical Rotation |
[a]D20 = +1.9 (c = 1.0, CH2Cl2) |
| Quality |
149 |
| Reported Formula |
C11H12NO2SI |
| SMILES |
C1=CC2=C(C=C1)[C@@]([C@]1(N(S2(=O)=O)CCC1)[H])(I)[H] |
| SPLASH |
splash10-05di-4940000000-59f771450ab1dcbd445d |
| Sample Comments |
31% ee |
| Source of Spectrum |
QE-28-SM32-2a' (DOI: 10.1002/chem.202202267) |
| Wiley ID |
1902408 |
![(10S,10aS)-10-Iodo-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide](/api/spectrum/22ibKGR7n1y/structure.png?h=300&w=458 "(10S,10aS)-10-Iodo-2,3,10,10a-tetrahydro-1H-benzo[e]pyrrolo[1,2-b][1,2]thiazine 5,5-dioxide")
