| SpectraBase Compound ID | GiRWO9JPHO8 |
|---|---|
| InChI | InChI=1S/C14H14N2O4/c15-10-14(8-2-1-3-9-14)20-13(17)11-4-6-12(7-5-11)16(18)19/h4-7H,1-3,8-9H2 |
| InChIKey | CPXBTTWNBFAKPX-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H14N2O4 |
| Exact Mass | 274.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bgbfLa5Vx8 |
|---|---|
| Name | 1'-Cyanocyclohexyl 4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.095356935 u |
| Formula | C14H14N2O4 |
| InChI | InChI=1S/C14H14N2O4/c15-10-14(8-2-1-3-9-14)20-13(17)11-4-6-12(7-5-11)16(18)19/h4-7H,1-3,8-9H2 |
| InChIKey | CPXBTTWNBFAKPX-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=CC(C(OC2(C#N)CCCCC2)=O)=CC1 |