| SpectraBase Spectrum ID |
90vEc4I86xs |
| Name |
Butanedioic acid, 2-ethyl-2-(phenylthio)-, 1-ethyl ester |
| CAS Registry Number |
79749-88-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O4S |
| InChI |
InChI=1S/C14H18O4S/c1-3-14(10-12(15)16,13(17)18-4-2)19-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16) |
| InChIKey |
ISYQBYNSCDCFAV-UHFFFAOYSA-N |
| Molecular Weight |
282.354 g/mol |
| SMILES |
OC(CC(C(=O)OCC)(Sc1ccccc1)CC)=O |
| SPLASH |
splash10-03di-0940000000-cc36be523c2ece0ee842 |
| Source of Spectrum |
KC-1981-2757-0 |
| Synonyms |
1-Ethyl hydrogen 2-ethyl-2-(phenylthio)succinate
3-(ethoxycarbonyl)-3-(phenylsulfanyl)pentanoic acid |
| Wiley ID |
1285591 |
