| SpectraBase Spectrum ID |
6Eo8dRQYoC0 |
| Name |
2-(S-Methyl-S-4-chlorophenyl)sulfoximidoyl-1-(4-tert-butylphenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
595.044487604 u |
| Formula |
C26H27ClINO3S |
| InChI |
InChI=1S/C26H27ClINO3S/c1-26(2,3)19-11-9-18(10-12-19)24(32-25(30)22-7-5-6-8-23(22)28)17-29-33(4,31)21-15-13-20(27)14-16-21/h5-16,24H,17H2,1-4H3 |
| InChIKey |
QOHYWIMIUWPXSC-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
595.923 g/mol |
| Quality |
58 |
| Reported Formula |
C26H27IClNO3S |
| SMILES |
C1=CC(=C(C=C1)I)C(=O)OC(CN=S(C)(C1=CC=C(C=C1)Cl)=O)C1=CC=C(C=C1)C(C)(C)C |
| SPLASH |
splash10-0udi-0290000000-fab4751dacae963b99ad |
| Sample Comments |
dr = 80:20 |
| Source of Spectrum |
QE-24-SM9-6le (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901744 |
