| SpectraBase Spectrum ID |
CYMau7X7cch |
| Name |
2-(S-Ethyl-S-phenyl)sulfoximidoyl-1-(phenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
519.036509743 u |
| Formula |
C23H22INO3S |
| InChI |
InChI=1S/C23H22INO3S/c1-2-29(27,19-13-7-4-8-14-19)25-17-22(18-11-5-3-6-12-18)28-23(26)20-15-9-10-16-21(20)24/h3-16,22H,2,17H2,1H3 |
| InChIKey |
HIMJISPQZAGHBB-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
519.397 g/mol |
| Quality |
66 |
| Reported Formula |
C23H22INO3S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(CC)(C1=CC=CC=C1)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-001i-0900000000-ccd982ce30157d199676 |
| Sample Comments |
dr = 71:29 |
| Source of Spectrum |
QE-24-SM7-6ab (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901723 |
