| SpectraBase Compound ID | AXeDJMVlJj9 |
|---|---|
| InChI | InChI=1S/C11H8O2/c1-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-6H,1H3 |
| InChIKey | OPKFWRVRCVCMJH-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C11H8O2 |
| Exact Mass | 172.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5vNS6cCtxr |
|---|---|
| Name | 6-Methyl-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.052429496 u |
| Formula | C11H8O2 |
| InChI | InChI=1S/C11H8O2/c1-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-6H,1H3 |
| InChIKey | OPKFWRVRCVCMJH-UHFFFAOYSA-N |
| Molecular Weight | 172.183 g/mol |
| SMILES | C1=C(C=CC2=C1C(C=CC2=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927762 |