![2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine](/api/spectrum/FH9V2DJauvL/structure.png?h=300&w=458 "2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine")
| SpectraBase Compound ID | 6ewMznGPAsQ |
|---|---|
| InChI | InChI=1S/C12H13FN2O/c13-10-4-2-9(3-5-10)11(16)8-12-14-6-1-7-15-12/h2-5,8,14-15H,1,6-7H2 |
| InChIKey | ANWMBAZLMRYIGW-UHFFFAOYSA-N |
| Mol Weight | 220.25 g/mol |
| Molecular Formula | C12H13FN2O |
| Exact Mass | 220.101191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH9V2DJauvL |
|---|---|
| Name | 2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.101191209 u |
| Formula | C12H13FN2O |
| InChI | InChI=1S/C12H13FN2O/c13-10-4-2-9(3-5-10)11(16)8-12-14-6-1-7-15-12/h2-5,8,14-15H,1,6-7H2 |
| InChIKey | ANWMBAZLMRYIGW-UHFFFAOYSA-N |
| Molecular Weight | 220.247 g/mol |
| SMILES | C1(NCCCN1)=CC(C=1C=CC(=CC1)F)=O |