| SpectraBase Spectrum ID |
83ZdqkJpyQn |
| Name |
1,4-Diacetyl-2,3-naphthalenediol dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.125988358 u |
| Formula |
C28H20O6 |
| InChI |
InChI=1S/C28H20O6/c1-17(29)23-21-15-9-10-16-22(21)24(18(2)30)26(34-28(32)20-13-7-4-8-14-20)25(23)33-27(31)19-11-5-3-6-12-19/h3-16H,1-2H3 |
| InChIKey |
PITIFFYQYLGDCI-UHFFFAOYSA-N |
| Molecular Weight |
452.462 g/mol |
| SMILES |
C1=2C(=CC=CC2)C(=C(C(=C1C(C)=O)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937796 |
