| SpectraBase Compound ID | 1biBHizmgv3 |
|---|---|
| InChI | InChI=1S/C17H12O3/c18-14-9-10-15(19)17-13(14)7-4-8-16(17)20-11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChIKey | ZUMQZEANHGSXGO-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C17H12O3 |
| Exact Mass | 264.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AyD5hFmrF4F |
|---|---|
| Name | 5-Benzoxy-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.078644243 u |
| Formula | C17H12O3 |
| InChI | InChI=1S/C17H12O3/c18-14-9-10-15(19)17-13(14)7-4-8-16(17)20-11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChIKey | ZUMQZEANHGSXGO-UHFFFAOYSA-N |
| SMILES | C1(C=CC(C=2C(=CC=CC12)OCC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96107 |