| SpectraBase Spectrum ID |
80AQiWEyIGn |
| Name |
2-(S-Methyl-S-2-methoxyphenyl)sulfoximidoyl-1-(4-tert-butylphenyl)ethyl 2-iodobenzoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30INO4S |
| InChI |
InChI=1S/C27H30INO4S/c1-27(2,3)20-16-14-19(15-17-20)24(33-26(30)21-10-6-7-11-22(21)28)18-29-34(5,31)25-13-9-8-12-23(25)32-4/h6-17,24H,18H2,1-5H3 |
| InChIKey |
YGYAOOALRFYRNZ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201803975 |
| Molecular Weight |
591.504 g/mol |
| Quality |
65 |
| Reported Formula |
C27H30INO4S |
| 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)C(C)(C)C |
| SPLASH |
splash10-006t-0910000000-9ae388d27fd39614422b |
| Sample Comments |
dr = 70:30 |
| Source of Spectrum |
QE-24-SM8-6ld (DOI: 10.1002/chem.201803975) |
| Wiley ID |
1901743 |
