| SpectraBase Spectrum ID |
BBK4Sdv0yZI |
| Name |
2-(S-Methyl-S-phenyl)sulfoximidoyl-1-(p-tolyl)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/c1-17-12-14-18(15-13-17)22(28-23(26)20-10-6-7-11-21(20)24)16-25-29(2,27)19-8-4-3-5-9-19/h3-15,22H,16H2,1-2H3 |
| InChIKey |
XOFDJWVJXICATC-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
519.397 g/mol |
| Quality |
55 |
| Reported Formula |
C23H22INO3S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=CC=CC=C1)=O)C1=CC=C(C=C1)C |
| SPLASH |
splash10-014i-0910000000-edff160c2633f5d2d22b |
| Sample Comments |
dr = 80:20 |
| Source of Spectrum |
QE-24-SM3-6ba (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901728 |
