| SpectraBase Spectrum ID |
J3naBlQOPfp |
| Name |
propanoic acid, 2-(5,7-dimethyl-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 |
304.038099874 u |
| Formula |
C13H11F3O3S |
| InChI |
InChI=1S/C13H11F3O3S/c1-6-4-7(2)10-8(5-6)20-12(19-10)9(11(17)18-3)13(14,15)16/h4-5H,1-3H3/b12-9+ |
| InChIKey |
DHXLTOMAUJNWCT-FMIVXFBMSA-N |
| Molecular Weight |
304.283 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15516 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10037765; Lab Info: SIZ; Lab Number: SIZ-0417016 |
![2-(5,7-Dimethyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester](/api/spectrum/J3naBlQOPfp/structure.png?h=300&w=458 "2-(5,7-Dimethyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester")
