| SpectraBase Compound ID | Js7OiznkyK2 |
|---|---|
| InChI | InChI=1S/C14H12O4/c1-9(15)17-13-5-3-12-8-14(18-10(2)16)6-4-11(12)7-13/h3-8H,1-2H3 |
| InChIKey | JTUIDPCUTRXCPW-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C14H12O4 |
| Exact Mass | 244.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CViPGlfVEHp |
|---|---|
| Name | 2,6-Naphthalenediol, diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.073558862 u |
| Formula | C14H12O4 |
| InChI | InChI=1S/C14H12O4/c1-9(15)17-13-5-3-12-8-14(18-10(2)16)6-4-11(12)7-13/h3-8H,1-2H3 |
| InChIKey | JTUIDPCUTRXCPW-UHFFFAOYSA-N |
| Molecular Weight | 244.246 g/mol |
| SMILES | C=12C=CC(=CC1C=CC(=C2)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.869781 |