| SpectraBase Compound ID | D4nnImAheTb |
|---|---|
| InChI | InChI=1S/C16H25NO2/c1-2-10-11-5-3-4-7-17-8-6-12(15(11)17)13-9-14(18)19-16(10)13/h10-13,15-16H,2-9H2,1H3/t10-,11-,12+,13+,15-,16-/m1/s1 |
| InChIKey | XMVCGBMOJNTQMP-VDXKCRADSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C16H25NO2 |
| Exact Mass | 263.188529 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITtI3Y50FPh |
|---|---|
| Name | ()-13-Demethylneostenine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.188529047 u |
| Formula | C16H25NO2 |
| InChI | InChI=1S/C16H25NO2/c1-2-10-11-5-3-4-7-17-8-6-12(15(11)17)13-9-14(18)19-16(10)13/h10-13,15-16H,2-9H2,1H3/t10-,11-,12+,13+,15-,16-/m1/s1 |
| InChIKey | XMVCGBMOJNTQMP-VDXKCRADSA-N |
| Molecular Weight | 263.381 g/mol |
| SMILES | [C@]12([C@]([C@@]3(CCN4[C@@]3([C@@]([C@]2(CC)[H])(CCCC4)[H])[H])[H])(CC(O1)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978978 |