| SpectraBase Spectrum ID |
AkIBzXFq36G |
| Name |
methyl 2-benzylsulfanyl-3-hydroxy-but-2-enoate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3S |
| InChI |
InChI=1S/C12H14O3S/c1-9(13)11(12(14)15-2)16-8-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3 |
| InChIKey |
IZTHIAJFNGNEHQ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-MSQP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.17.24 |
| Molecular Weight |
238.301 g/mol |
| Reported Formula |
C12H14O3S |
| SMILES |
OC(=C(SCc1ccccc1)C(=O)OC)C |
| SPLASH |
splash10-006x-9600000000-cabc1eaf3530feef2d90 |
| Sample Comments |
mixture of tautomers |
| Source of Spectrum |
BJO-17-SM9-8 |
| Wiley ID |
1858448 |
