| SpectraBase Spectrum ID |
KLPMIJ7ZTGs |
| Name |
5-Hexenoic acid, 2,2-dimethyl-4-oxo-5,6,6-tri(phenylthio)-, ethyl ester |
| CAS Registry Number |
89509-72-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28O3S3 |
| InChI |
InChI=1S/C28H28O3S3/c1-4-31-27(30)28(2,3)20-24(29)25(32-21-14-8-5-9-15-21)26(33-22-16-10-6-11-17-22)34-23-18-12-7-13-19-23/h5-19H,4,20H2,1-3H3 |
| InChIKey |
FDFYJJPCSCXDCH-UHFFFAOYSA-N |
| Molecular Weight |
508.709 g/mol |
| SMILES |
C(=C(Sc1ccccc1)Sc1ccccc1)(C(CC(C(=O)OCC)(C)C)=O)Sc1ccccc1 |
| SPLASH |
splash10-0a4i-0000090000-2bc8740bc7ab419193a8 |
| Source of Spectrum |
C-106-3559-0 |
| Synonyms |
ethyl 2,2-dimethyl-4-oxo-5,6,6-tris(phenylsulfanyl)-5-hexenoate
Ethyl 2,2-dimethyl-4-oxo-5,6,6-tris(phenylthio)hex-5-enoate |
| Wiley ID |
1400170 |
