| SpectraBase Spectrum ID |
KABfidPcQJY |
| Name |
4-Pentenethioic acid, 3-hydroxy-2,4-dimethyl-, S-phenyl ester, (R*,R*)-(.+-.)- |
| Alternate Name(s) |
(2RS,3RS)-S-phenyl 3-hydroxy-2,4-dimethylthioprop-4-enoate
S-phenyl (2R,3R)-3-hydroxy-2,4-dimethyl-4-pentenethioate |
| CAS Registry Number |
102745-51-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2S |
| InChI |
InChI=1S/C13H16O2S/c1-9(2)12(14)10(3)13(15)16-11-7-5-4-6-8-11/h4-8,10,12,14H,1H2,2-3H3/t10-,12+/m1/s1 |
| InChIKey |
FUNQBHYQPSLLKC-PWSUYJOCSA-N |
| Molecular Weight |
236.329 g/mol |
| SMILES |
O[C@]([C@](C(Sc1ccccc1)=O)(C)[H])(C(=C)C)[H] |
| SPLASH |
splash10-014i-0900000000-a41edb9bdf283ea0d589 |
| Source of Spectrum |
C-108-4611-32 |
| Wiley ID |
1237966 |
