![2-(5-tert-Butyl-3a,4,5,6-tetrahydro-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester](/api/spectrum/9PFLpSQJB8d/structure.png?h=300&w=458 "2-(5-tert-Butyl-3a,4,5,6-tetrahydro-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester")
| SpectraBase Compound ID | HdUBhtp3eC5 |
|---|---|
| InChI | InChI=1S/C15H19F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h6,8,10H,5,7H2,1-4H3/b13-11- |
| InChIKey | YDPHNUDABIQGNL-QBFSEMIESA-N |
| Mol Weight | 336.37 g/mol |
| Molecular Formula | C15H19F3O3S |
| Exact Mass | 336.1007 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9PFLpSQJB8d |
|---|---|
| Name | 2-(5-tert-Butyl-3a,4,5,6-tetrahydro-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19F3O3S |
| InChI | InChI=1S/C15H19F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h6,8,10H,5,7H2,1-4H3/b13-11- |
| InChIKey | YDPHNUDABIQGNL-QBFSEMIESA-N |
| Molecular Weight | 336.369 g/mol |
| SMILES | COC(\C(=C/1OC=2C(S1)CC(CC2)C(C)(C)C)C(F)(F)F)=O |
| SPLASH | splash10-004r-2293000000-89c23cdbaa36251d399c |
| Synonyms | (2Z)-2-(5-tert-butyl-3a,4,5,6-tetrahydro-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester (2Z)-2-(5-tert-butyl-3a,4,5,6-tetrahydro-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoic acid methyl ester Methyl (2Z)-2-(5-tert-butyl-3a,4,5,6-tetrahydro-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propanoate Methyl (2Z)-2-(5-tert-butyl-3a,4,5,6-tetrahydro-1,3-benzoxathiol-2-ylidene)-3,3,3-tris(fluoranyl)propanoate Methyl 2-(5-tert-butyl-3a,4,5,6-tetrahydro-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate |
| Wiley ID | 1463142 |