| SpectraBase Spectrum ID |
3veH6X32nST |
| Name |
Methyl (3S)-3-methyl-4-oxo-4-(phenylthio)butanoate |
| Appearance |
Light yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3S |
| InChI |
InChI=1S/C12H14O3S/c1-9(8-11(13)15-2)12(14)16-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m0/s1 |
| InChIKey |
LZBCJBYSSVQDNS-VIFPVBQESA-N |
| Instrument Name |
Shimadzu GCMS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.p008.380 |
| Molecular Weight |
238.301 g/mol |
| Optical Rotation |
[a]D = +18.3 (c = 7.0, ethyl acetate) |
| SMILES |
COC(C[C@@](C(Sc1ccccc1)=O)(C)[H])=O |
| SPLASH |
splash10-0a4i-9000000000-076c89e8fdf715685737 |
| Source of Spectrum |
ARK-2014-86-(3S)-7 |
| Wiley ID |
1845585 |
