| SpectraBase Spectrum ID |
G8vZXNtp5Xk |
| Name |
1-Acetyl-2,3-naphthalenediol dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.115423675 u |
| Formula |
C26H18O5 |
| InChI |
InChI=1S/C26H18O5/c1-17(27)23-21-15-9-8-14-20(21)16-22(30-25(28)18-10-4-2-5-11-18)24(23)31-26(29)19-12-6-3-7-13-19/h2-16H,1H3 |
| InChIKey |
AZWIKLKMVRHVPB-UHFFFAOYSA-N |
| Molecular Weight |
410.425 g/mol |
| SMILES |
C1=2C(=CC=CC2)C(=C(C(=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953893 |
