| SpectraBase Compound ID | 3QdUW5CmhCo |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-7-4-3-5-8(10-2)6-9-7/h3,5-6H,4H2,1-2H3 |
| InChIKey | NAKNYZFLEHLIOE-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GdZAe9EP6ch |
|---|---|
| Name | 6-Methoxy-2-methyl-3H-azepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-7-4-3-5-8(10-2)6-9-7/h3,5-6H,4H2,1-2H3 |
| InChIKey | NAKNYZFLEHLIOE-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C=1N=C(CC=CC1OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82009 |