| SpectraBase Spectrum ID |
1Qs4yu0Q5KU |
| Name |
2-(S-Methyl-S-2-methoxyphenyl)sulfoximidoyl-1-(4-acetoxyphenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
593.036903665 u |
| Formula |
C25H24INO6S |
| InChI |
InChI=1S/C25H24INO6S/c1-17(28)32-19-14-12-18(13-15-19)23(33-25(29)20-8-4-5-9-21(20)26)16-27-34(3,30)24-11-7-6-10-22(24)31-2/h4-15,23H,16H2,1-3H3 |
| InChIKey |
QIWSABAHSOCMTM-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
593.432 g/mol |
| Quality |
60 |
| Reported Formula |
C25H24INO6S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=C(C=CC=C1)OC)=O)C1=CC=C(C=C1)OC(C)=O |
| SPLASH |
splash10-0002-0900000000-d17da94585593393ae7e |
| Sample Comments |
dr = 69:31 |
| Source of Spectrum |
QE-24-SM8-6fd (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901735 |
