| SpectraBase Compound ID | 3sxcHosHman |
|---|---|
| InChI | InChI=1S/C6H10.C2H2F3NO/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-2H,3-6H2;(H2,6,7) |
| InChIKey | OAFLAYHIKZKRKI-UHFFFAOYSA-N |
| Mol Weight | 195.185 g/mol |
| Molecular Formula | C8H12F3NO |
| Exact Mass | 195.087098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCSoS6iScMj |
|---|---|
| Name | Acetamide, 2,2,2-trifluoro-N-(4-hydroxy-2-cyclohexen-1-yl)-, (1S-cis)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.087098498 u |
| Formula | C8H12F3NO |
| InChI | InChI=1S/C6H10.C2H2F3NO/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-2H,3-6H2;(H2,6,7) |
| InChIKey | OAFLAYHIKZKRKI-UHFFFAOYSA-N |
| Molecular Weight | 195.185 g/mol |
| Nominal Mass | 195 u |
| SMILES | C1C=CCCC1.NC(C(F)(F)F)=O |