| SpectraBase Spectrum ID |
CjDbB5REcUU |
| Name |
Butanedioic acid, 2-(1-methylethyl)-2-(phenylthio)-, 1-methyl ester |
| Alternate Name(s) |
1-Methyl hydrogen 2-isopropyl-2-(phenylthio)succinate
3-(methoxycarbonyl)-4-methyl-3-(phenylsulfanyl)pentanoic acid |
| CAS Registry Number |
79749-86-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O4S |
| InChI |
InChI=1S/C14H18O4S/c1-10(2)14(9-12(15)16,13(17)18-3)19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16) |
| InChIKey |
KVJBLORSJUXBTG-UHFFFAOYSA-N |
| Molecular Weight |
282.354 g/mol |
| SMILES |
OC(CC(C(=O)OC)(Sc1ccccc1)C(C)C)=O |
| SPLASH |
splash10-08gi-0940000000-1c5dab6f855fdc2fd4c2 |
| Source of Spectrum |
KC-1981-2756-0 |
| Wiley ID |
1285590 |
