| SpectraBase Compound ID | 2TFEud2pIZY |
|---|---|
| InChI | InChI=1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H |
| InChIKey | PAHXLHWOHJTWRU-UHFFFAOYSA-N |
| Mol Weight | 170.13 g/mol |
| Molecular Formula | C9H5F3 |
| Exact Mass | 170.034335 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IMbQkpoQuEn |
|---|---|
| Name | 3-Ethynylbenzotrifluoride |
| CAS Registry Number | 705-28-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5F3 |
| InChI | InChI=1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H |
| InChIKey | PAHXLHWOHJTWRU-UHFFFAOYSA-N |
| Molecular Weight | 170.134 g/mol |
| SMILES | C(c1cc(C#C)ccc1)(F)(F)F |
| SPLASH | splash10-00di-0900000000-127ceb3ef15513f83823 |
| Source of Spectrum | J-46-2283-0 |
| Synonyms | 1-Ethynyl-3-(trifluoromethyl)benzene |
| Wiley ID | 1166444 |