| SpectraBase Spectrum ID |
ELRmvub0OlO |
| Name |
2-(S-Methyl-S-4-fluorophenyl)sulfoximidoyl-1-(4-acetoxyphenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
581.016917112 u |
| Formula |
C24H21FINO5S |
| InChI |
InChI=1S/C24H21FINO5S/c1-16(28)31-19-11-7-17(8-12-19)23(32-24(29)21-5-3-4-6-22(21)26)15-27-33(2,30)20-13-9-18(25)10-14-20/h3-14,23H,15H2,1-2H3 |
| InChIKey |
VATUJVXFQPKWKP-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
581.397 g/mol |
| Quality |
63 |
| Reported Formula |
C24H21IFNO5S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=CC=C(C=C1)F)=O)C1=CC=C(C=C1)OC(=O)C |
| SPLASH |
splash10-000i-0900000000-977ba6ca5d244adfc1db |
| Sample Comments |
dr = 64:36 |
| Source of Spectrum |
QE-24-SM10-6ff (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901736 |
