| SpectraBase Compound ID | 3PGqDtjbCJY |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-8(11)10-7-5-3-2-4-6-9(10)12/h4,6H,2-3,5,7H2,1H3/b6-4- |
| InChIKey | BWFROIJTDGGSDK-XQRVVYSFSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fxj4MShUHdo |
|---|---|
| Name | (6Z)-1-Acetyl-2,3,4,5-tetrahydroazocin-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-8(11)10-7-5-3-2-4-6-9(10)12/h4,6H,2-3,5,7H2,1H3/b6-4- |
| InChIKey | BWFROIJTDGGSDK-XQRVVYSFSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C1(N(CCCC\C=C/1)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986086 |