| SpectraBase Compound ID | 4GduMi3ZVJ7 |
|---|---|
| InChI | InChI=1S/C14H10O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17) |
| InChIKey | PFTQWZDYAKHSDM-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C14H10O3 |
| Exact Mass | 226.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6MubUMnvcEC |
|---|---|
| Name | Gamma-oxo-1-naphthalenecrotonic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.062994179 u |
| Formula | C14H10O3 |
| InChI | InChI=1S/C14H10O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17) |
| InChIKey | PFTQWZDYAKHSDM-UHFFFAOYSA-N |
| Molecular Weight | 226.231 g/mol |
| SMILES | OC(=O)C=CC(=O)C=1C=2C=CC=CC2C=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.965352 |