| SpectraBase Spectrum ID |
6HMzcLZPGsn |
| Name |
2-(4-Methylphenacyl)-3-phenoxymethyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.136159120 u |
| Formula |
C26H20O4 |
| InChI |
InChI=1S/C26H20O4/c1-17-11-13-18(14-12-17)24(27)15-22-23(16-30-19-7-3-2-4-8-19)26(29)21-10-6-5-9-20(21)25(22)28/h2-14H,15-16H2,1H3 |
| InChIKey |
AXTUSSIGYGVZJJ-UHFFFAOYSA-N |
| Molecular Weight |
396.442 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)COC=1C=CC=CC1)CC(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939551 |
