| SpectraBase Spectrum ID |
GPTtkzxl5jg |
| Name |
2-(S-Methyl-S-4-chlorophenyl)sulfoximidoyl-1-(phenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.981887347 u |
| Formula |
C22H19ClINO3S |
| InChI |
InChI=1S/C22H19ClINO3S/c1-29(27,18-13-11-17(23)12-14-18)25-15-21(16-7-3-2-4-8-16)28-22(26)19-9-5-6-10-20(19)24/h2-14,21H,15H2,1H3 |
| InChIKey |
HCPXVQJIDIMKSS-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
539.815 g/mol |
| Quality |
81 |
| Reported Formula |
C22H19IClNO3S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-0ufr-0490000000-6e2a376db044611dc46e |
| Sample Comments |
dr = 71:29 |
| Source of Spectrum |
QE-24-SM9-6ae (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901725 |
