| SpectraBase Spectrum ID |
2sBqsGW0t33 |
| Name |
2-(2-Oxidanylidenepropyl)-3-(phenoxymethyl)naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.104858991 u |
| Formula |
C20H16O4 |
| InChI |
InChI=1S/C20H16O4/c1-13(21)11-17-18(12-24-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(17)22/h2-10H,11-12H2,1H3 |
| InChIKey |
CTZQBHNMYOVJFV-UHFFFAOYSA-N |
| Molecular Weight |
320.344 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)CC(=O)C)COC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92476 |
