| SpectraBase Spectrum ID |
7rEnPeExE6n |
| Name |
3-Phenoxymethyl-2-phenacyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.120509056 u |
| Formula |
C25H18O4 |
| InChI |
InChI=1S/C25H18O4/c26-23(17-9-3-1-4-10-17)15-21-22(16-29-18-11-5-2-6-12-18)25(28)20-14-8-7-13-19(20)24(21)27/h1-14H,15-16H2 |
| InChIKey |
CUTBZFWUTIIHLQ-UHFFFAOYSA-N |
| Molecular Weight |
382.415 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)COC=1C=CC=CC1)CC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965294 |
