| SpectraBase Compound ID | 5YfbKA2kC2x |
|---|---|
| InChI | InChI=1S/C9H9F3/c1-6-4-3-5-7(2)8(6)9(10,11)12/h3-5H,1-2H3 |
| InChIKey | BGURHJHQZVSCHL-UHFFFAOYSA-N |
| Mol Weight | 174.17 g/mol |
| Molecular Formula | C9H9F3 |
| Exact Mass | 174.065635 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F5pkfpNFjsm |
|---|---|
| Name | 1,3-Dimethyl-2-(trifluoromethyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9F3 |
| InChI | InChI=1S/C9H9F3/c1-6-4-3-5-7(2)8(6)9(10,11)12/h3-5H,1-2H3 |
| InChIKey | BGURHJHQZVSCHL-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol501967c |
| Molecular Weight | 174.166 g/mol |
| SMILES | c1c(C)c(c(cc1)C)C(F)(F)F |
| SPLASH | splash10-0a4i-0900000000-8581cb7be5eac0ecb5f6 |
| Source of Spectrum | A1-16-4268/SMS20-arb2 |
| Wiley ID | 1751165 |