| SpectraBase Compound ID | 5myuFb0A4aM |
|---|---|
| InChI | InChI=1S/C12H13F3O3/c1-16-9-7-11(18-3)10(17-2)6-8(9)4-5-12(13,14)15/h4-7H,1-3H3/b5-4+ |
| InChIKey | VOUQACVMRALAQW-SNAWJCMRSA-N |
| Mol Weight | 262.23 g/mol |
| Molecular Formula | C12H13F3O3 |
| Exact Mass | 262.081679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DxrDjjb24jZ |
|---|---|
| Name | (E)-1,2,4-Trimethoxy-5-(3,3,3-trifluoroprop-1-en-1-yl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.081678765 u |
| Formula | C12H13F3O3 |
| InChI | InChI=1S/C12H13F3O3/c1-16-9-7-11(18-3)10(17-2)6-8(9)4-5-12(13,14)15/h4-7H,1-3H3/b5-4+ |
| InChIKey | VOUQACVMRALAQW-SNAWJCMRSA-N |
| Molecular Weight | 262.228 g/mol |
| SMILES | C1=C(C(\C=C\C(F)(F)F)=CC(=C1OC)OC)OC |