| SpectraBase Compound ID | L0nTt9NJZl5 |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c1-10-6-8-13(9-7-10)11-4-2-3-5-12(11)14(15)16/h2-5,10H,6-9H2,1H3 |
| InChIKey | NWQIPZQULCORCG-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C12H16N2O2 |
| Exact Mass | 220.121178 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L4ItCnuCG4q |
|---|---|
| Name | 1-(o-Nitrophenyl)-4-pipecoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.121177761 u |
| Formula | C12H16N2O2 |
| InChI | InChI=1S/C12H16N2O2/c1-10-6-8-13(9-7-10)11-4-2-3-5-12(11)14(15)16/h2-5,10H,6-9H2,1H3 |
| InChIKey | NWQIPZQULCORCG-UHFFFAOYSA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | N(=O)(=O)C=1C(=CC=CC1)N1CCC(CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.966754 |