| SpectraBase Compound ID | gJK6K3ikBt |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-6-4-5-7(2)9(3)8(6)10/h4-5H,1-3H3 |
| InChIKey | ZEMREZVDPYNKNL-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 | 4LSE22N1C4n |
|---|---|
| Name | 2(1H)-Pyridinone, 1,3,6-trimethyl- |
| 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/c1-6-4-5-7(2)9(3)8(6)10/h4-5H,1-3H3 |
| InChIKey | ZEMREZVDPYNKNL-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | CC1=CC=C(C(N1C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952304 |