| SpectraBase Compound ID | 1dN6uZ9C8Ks |
|---|---|
| InChI | InChI=1S/C9H12F3NO2/c10-9(11,12)8(14)6-4-2-1-3-5-7(6)13-15-8/h6,14H,1-5H2 |
| InChIKey | NTPULKLWYAUCMD-UHFFFAOYSA-N |
| Mol Weight | 223.2 g/mol |
| Molecular Formula | C9H12F3NO2 |
| Exact Mass | 223.082013 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7AKOnjkuhTX |
|---|---|
| Name | 3-Hydroxy-3-trifluoromethyl-3H-3a,4,5,6,7,8-hexahydro-cyclohepta[c]isoxazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12F3NO2 |
| InChI | InChI=1S/C9H12F3NO2/c10-9(11,12)8(14)6-4-2-1-3-5-7(6)13-15-8/h6,14H,1-5H2 |
| InChIKey | NTPULKLWYAUCMD-UHFFFAOYSA-N |
| Molecular Weight | 223.195 g/mol |
| SMILES | OC1(ON=C2C1CCCCC2)C(F)(F)F |
| SPLASH | splash10-0aor-3900000000-7c6cc1f585aae2e26d17 |
| Source of Spectrum | Y-46-161-2a |
| Wiley ID | 1666686 |