| SpectraBase Spectrum ID |
JRyEuaHKkWC |
| Name |
propanoic acid, 2-[5-(1,1-dimethylethyl)-1,3-benzoxathiol-2-ylidene]-3,3,3-trifluoro-, methyl ester, (2E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.069400003 u |
| Formula |
C15H15F3O3S |
| InChI |
InChI=1S/C15H15F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h5-7H,1-4H3/b13-11+ |
| InChIKey |
LZCMVWMVDAPPAT-ACCUITESSA-N |
| Molecular Weight |
332.337 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15521 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10038462; Lab Info: SIZ; Lab Number: SIZ-0417018 |
![2-(5-tert-Butyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester](/api/spectrum/JRyEuaHKkWC/structure.png?h=300&w=458 "2-(5-tert-Butyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester")
