![3,3,3-Trifluoro-2-(4-oxo-4H-1,5-dioxa-3-thia-cyclopenta[a]naphthalen-2-ylidene)-propionic acid methyl ester](/api/spectrum/kB5aNd6qat/structure.png?h=300&w=458 "3,3,3-Trifluoro-2-(4-oxo-4H-1,5-dioxa-3-thia-cyclopenta[a]naphthalen-2-ylidene)-propionic acid methyl ester")
| SpectraBase Compound ID | I5FrrOMxZX0 |
|---|---|
| InChI | InChI=1S/C14H7F3O5S/c1-20-11(18)8(14(15,16)17)13-22-9-6-4-2-3-5-7(6)21-12(19)10(9)23-13/h2-5H,1H3/b13-8+ |
| InChIKey | VZYOKROKAHLUGN-MDWZMJQESA-N |
| Mol Weight | 344.26 g/mol |
| Molecular Formula | C14H7F3O5S |
| Exact Mass | 343.996629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | kB5aNd6qat |
|---|---|
| Name | 3,3,3-Trifluoro-2-(4-oxo-4H-1,5-dioxa-3-thia-cyclopenta[a]naphthalen-2-ylidene)-propionic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H7F3O5S |
| InChI | InChI=1S/C14H7F3O5S/c1-20-11(18)8(14(15,16)17)13-22-9-6-4-2-3-5-7(6)21-12(19)10(9)23-13/h2-5H,1H3/b13-8+ |
| InChIKey | VZYOKROKAHLUGN-MDWZMJQESA-N |
| Molecular Weight | 344.260 g/mol |
| SMILES | COC(\C(=C/1SC2=C(O1)c1c(OC2=O)cccc1)C(F)(F)F)=O |
| SPLASH | splash10-01vx-9738000000-65d9c2c4ebdb01999e2f |
| Synonyms | (2E)-3,3,3-trifluoro-2-(4-keto-[1,3]oxathiolo[4,5-c]chromen-2-ylidene)propionic acid methyl ester (2E)-3,3,3-trifluoro-2-(4-oxo-[1,3]oxathiolo[4,5-c][1]benzopyran-2-ylidene)propanoic acid methyl ester Methyl (2E)-3,3,3-trifluoro-2-(4-oxo-4H-[1,3]oxathiolo[4,5-c]chromen-2-ylidene)propanoate Methyl (2E)-3,3,3-trifluoro-2-(4-oxo-[1,3]oxathiolo[4,5-c]chromen-2-ylidene)propanoate Methyl (2E)-3,3,3-tris(fluoranyl)-2-(4-oxidanylidene-[1,3]oxathiolo[4,5-c]chromen-2-ylidene)propanoate |
| Wiley ID | 1463113 |