| SpectraBase Spectrum ID |
32N8I5gjy73 |
| Name |
2-(S-Methyl-S-phenyl)sulfoximidoyl-1-(2-bromophenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.931372647 u |
| Formula |
C22H19BrINO3S |
| InChI |
InChI=1S/C22H19BrINO3S/c1-29(27,16-9-3-2-4-10-16)25-15-21(17-11-5-7-13-19(17)23)28-22(26)18-12-6-8-14-20(18)24/h2-14,21H,15H2,1H3 |
| InChIKey |
SOMIWUUCSIQPEB-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
584.266 g/mol |
| Quality |
68 |
| Reported Formula |
C22H19IBrNO3S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=CC=CC=C1)=O)C1=CC=CC=C1Br |
| SPLASH |
splash10-0udi-4109000000-1202c7dbba6e71b2e983 |
| Sample Comments |
dr = 85:15 |
| Source of Spectrum |
QE-24-SM6-6ja (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901741 |
