| SpectraBase Compound ID | 6Fip3fHAC6t |
|---|---|
| InChI | InChI=1S/C14H17NO/c1-10-3-5-12(6-4-10)14-7-13(14)8-15(9-14)11(2)16/h3-6,13H,7-9H2,1-2H3 |
| InChIKey | LBWKCJUPGDYPKM-UHFFFAOYSA-N |
| Mol Weight | 215.3 g/mol |
| Molecular Formula | C14H17NO |
| Exact Mass | 215.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7rcyYAHd8QS |
|---|---|
| Name | Bicifadine, N-acetyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.131014170 u |
| Formula | C14H17NO |
| InChI | InChI=1S/C14H17NO/c1-10-3-5-12(6-4-10)14-7-13(14)8-15(9-14)11(2)16/h3-6,13H,7-9H2,1-2H3 |
| InChIKey | LBWKCJUPGDYPKM-UHFFFAOYSA-N |
| Molecular Weight | 215.296 g/mol |
| SMILES | C12(CN(CC2C1)C(=O)C)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825439 |