| SpectraBase Compound ID | 2EStTvYp1zq |
|---|---|
| InChI | InChI=1S/C8H15NO2/c1-7(10)11-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3 |
| InChIKey | CTVJTRDKSBQDGV-UHFFFAOYSA-N |
| Mol Weight | 157.21 g/mol |
| Molecular Formula | C8H15NO2 |
| Exact Mass | 157.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AoxWRI13dz8 |
|---|---|
| Name | 1-Methyl-3-acetoxy-azacyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.110278725 u |
| Formula | C8H15NO2 |
| InChI | InChI=1S/C8H15NO2/c1-7(10)11-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3 |
| InChIKey | CTVJTRDKSBQDGV-UHFFFAOYSA-N |
| Molecular Weight | 157.213 g/mol |
| SMILES | C1CN(CC(C1)OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973761 |