| SpectraBase Spectrum ID |
K5MH1wGJ6wJ |
| Name |
ethyl 2-benzylsulfanyl-3-hydroxy-but-2-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-3-16-13(15)12(10(2)14)17-9-11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3 |
| InChIKey |
NXLORLPVZKEJGH-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-MSQP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.17.24 |
| Molecular Weight |
252.328 g/mol |
| Reported Formula |
C13H16O3S |
| SMILES |
OC(=C(SCc1ccccc1)C(=O)OCC)C |
| SPLASH |
splash10-006x-9500000000-2d8d3d20cc668cd1dedd |
| Sample Comments |
mixture of tautomers |
| Source of Spectrum |
BJO-17-SM9-7 |
| Wiley ID |
1858447 |
