| SpectraBase Compound ID | GEWE8cHdtu0 |
|---|---|
| InChI | InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2 |
| InChIKey | ZJOFAFWTOKDIFH-UHFFFAOYSA-N |
| Mol Weight | 189.22 g/mol |
| Molecular Formula | C10H11N3O |
| Exact Mass | 189.090212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qMSWtENqLr |
|---|---|
| Name | (S)-N-Nitrosoanatabine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.090211985 u |
| Formula | C10H11N3O |
| InChI | InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2 |
| InChIKey | ZJOFAFWTOKDIFH-UHFFFAOYSA-N |
| Molecular Weight | 189.218 g/mol |
| SMILES | C1(N(N=O)CC=CC1)C1=CC=CN=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892192 |