![4-Chloro-2-(7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepin-5-yl)-phenol](/api/spectrum/Md6gkGpbU/structure.png?h=300&w=458 "4-Chloro-2-(7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepin-5-yl)-phenol")
| SpectraBase Compound ID | CEt9FrX6hPV |
|---|---|
| InChI | InChI=1S/C12H10ClF3N2O/c13-7-1-2-10(19)8(5-7)9-6-11(12(14,15)16)18-4-3-17-9/h1-2,5-6,18-19H,3-4H2 |
| InChIKey | ARXXYYZYWNEULH-UHFFFAOYSA-N |
| Mol Weight | 290.67 g/mol |
| Molecular Formula | C12H10ClF3N2O |
| Exact Mass | 290.043375 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Md6gkGpbU |
|---|---|
| Name | 4-Chloro-2-(7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepin-5-yl)-phenol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H10ClF3N2O |
| InChI | InChI=1S/C12H10ClF3N2O/c13-7-1-2-10(19)8(5-7)9-6-11(12(14,15)16)18-4-3-17-9/h1-2,5-6,18-19H,3-4H2 |
| InChIKey | ARXXYYZYWNEULH-UHFFFAOYSA-N |
| Molecular Weight | 290.673 g/mol |
| SMILES | N1CCN=C(c2c(ccc(c2)Cl)O)C=C1C(F)(F)F |
| SPLASH | splash10-0006-7790000000-027b57075bcf318a5699 |
| Wiley ID | 1451890 |