| SpectraBase Compound ID | 4tZpfeDdQJ9 |
|---|---|
| InChI | InChI=1S/C9H7F3O2/c1-14-8(13)6-4-2-3-5-7(6)9(10,11)12/h2-5H,1H3 |
| InChIKey | JLCAMDSWNZBTEE-UHFFFAOYSA-N |
| Mol Weight | 204.15 g/mol |
| Molecular Formula | C9H7F3O2 |
| Exact Mass | 204.039814 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGRvmWjqZcM |
|---|---|
| Name | Methyl 2-(trifluoromethyl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7F3O2 |
| InChI | InChI=1S/C9H7F3O2/c1-14-8(13)6-4-2-3-5-7(6)9(10,11)12/h2-5H,1H3 |
| InChIKey | JLCAMDSWNZBTEE-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol501967c |
| Molecular Weight | 204.148 g/mol |
| SMILES | c1cc(c(cc1)C(F)(F)F)C(OC)=O |
| SPLASH | splash10-00dj-0910000000-ffd12379cff5a4f44fc5 |
| Source of Spectrum | A1-16-4268/SMS25-4d |
| Wiley ID | 1751137 |