| SpectraBase Spectrum ID |
5oD4vJxwZVh |
| Name |
2-(S-Methyl-S-2-methoxyphenyl)sulfoximidoyl-1-(phenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.031424362 u |
| Formula |
C23H22INO4S |
| InChI |
InChI=1S/C23H22INO4S/c1-28-20-14-8-9-15-22(20)30(2,27)25-16-21(17-10-4-3-5-11-17)29-23(26)18-12-6-7-13-19(18)24/h3-15,21H,16H2,1-2H3 |
| InChIKey |
LTFAXAFSAJISJU-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
535.396 g/mol |
| Quality |
65 |
| Reported Formula |
C23H22INO4S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=C(C=CC=C1)OC)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-0002-0900000000-b03aa57d67b29f5ecca4 |
| Sample Comments |
dr = 83:17 |
| Source of Spectrum |
QE-24-SM8-6ad (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901724 |
