| SpectraBase Compound ID | EdkrxirxErO |
|---|---|
| InChI | InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m0/s1 |
| InChIKey | SGNXVBOIDPPRJJ-WPRPVWTQSA-N |
| Mol Weight | 165.24 g/mol |
| Molecular Formula | C10H15NO |
| Exact Mass | 165.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2qzmNODfSG |
|---|---|
| Name | Anatoxin-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.115364106 u |
| Formula | C10H15NO |
| InChI | InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m0/s1 |
| InChIKey | SGNXVBOIDPPRJJ-WPRPVWTQSA-N |
| Molecular Weight | 165.236 g/mol |
| SMILES | C1(C(=O)C)=CCC[C@@]2(N[C@]1(CC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934332 |