| SpectraBase Spectrum ID |
KeYyans0GbL |
| Name |
2-[1-Carboxy-2-oxo-4-(methoxyphenyl)-3-butenylidene]-1,3-dithiolane |
| Alternate Name(s) |
(4E)-2-(1,3-dithiolan-2-ylidene)-5-(2-methoxyphenyl)-3-oxo-4-pentenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O4S2 |
| InChI |
InChI=1S/C15H14O4S2/c1-19-12-5-3-2-4-10(12)6-7-11(16)13(14(17)18)15-20-8-9-21-15/h2-7H,8-9H2,1H3,(H,17,18)/b7-6+ |
| InChIKey |
JLSOGHZNMINBFP-VOTSOKGWSA-N |
| Molecular Weight |
322.393 g/mol |
| SMILES |
OC(C(=C1SCCS1)C(\C=C\c1c(OC)cccc1)=O)=O |
| SPLASH |
splash10-00di-0029000000-9b39c534546e6f3467af |
| Source of Spectrum |
SO-0-16-4 |
| Wiley ID |
1541945 |
![2-[1-Carboxy-2-oxo-4-(methoxyphenyl)-3-butenylidene]-1,3-dithiolane](/api/spectrum/KeYyans0GbL/structure.png?h=300&w=458 "2-[1-Carboxy-2-oxo-4-(methoxyphenyl)-3-butenylidene]-1,3-dithiolane")
