![4-(Anilinomethyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione](/api/spectrum/J318kdCesro/structure.png?h=300&w=458 "4-(Anilinomethyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione")
| SpectraBase Compound ID | 3A7Fo2yFu3K |
|---|---|
| InChI | InChI=1S/C16H16N2O2/c19-15-13-10-6-7-11(8-10)14(13)16(20)18(15)9-17-12-4-2-1-3-5-12/h1-7,10-11,13-14,17H,8-9H2 |
| InChIKey | GITJZXYOMRZZKK-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C16H16N2O2 |
| Exact Mass | 268.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J318kdCesro |
|---|---|
| Name | 4-(Anilinomethyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.121177761 u |
| Formula | C16H16N2O2 |
| InChI | InChI=1S/C16H16N2O2/c19-15-13-10-6-7-11(8-10)14(13)16(20)18(15)9-17-12-4-2-1-3-5-12/h1-7,10-11,13-14,17H,8-9H2 |
| InChIKey | GITJZXYOMRZZKK-UHFFFAOYSA-N |
| Molecular Weight | 268.316 g/mol |
| SMILES | N(CN1C(C2C3C=CC(C2C1=O)C3)=O)C1=CC=CC=C1 |