| SpectraBase Spectrum ID |
LTOsYh7lJI3 |
| Name |
Butanedioic acid, (phenylthio)-, 1-methyl ester |
| CAS Registry Number |
79749-85-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O4S |
| InChI |
InChI=1S/C11H12O4S/c1-15-11(14)9(7-10(12)13)16-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13) |
| InChIKey |
QXUYFYYETZPSNZ-UHFFFAOYSA-N |
| Molecular Weight |
240.273 g/mol |
| SMILES |
OC(CC(C(=O)OC)Sc1ccccc1)=O |
| SPLASH |
splash10-000x-0940000000-2bb755cda90765786bda |
| Source of Spectrum |
KC-1981-2756-0 |
| Synonyms |
1-Methyl hydrogen 2-(phenylthio)succinate
4-Methoxy-4-oxo-3-(phenylsulfanyl)butanoic acid |
| Wiley ID |
1242508 |
