| SpectraBase Compound ID | 1bFHrhEUs0A |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3 |
| InChIKey | LWWOWQZGAGVVEU-UHFFFAOYSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BDMHv3P5VtQ |
|---|---|
| Name | 1,4-Naphthalenedione, 2,3,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3 |
| InChIKey | LWWOWQZGAGVVEU-UHFFFAOYSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C1(=O)C2=C(C(C(=C1C)C)=O)C=CC(=C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857747 |