| SpectraBase Spectrum ID |
3MS3qhyz7LH |
| Name |
1'-Acetoxy-4'-methoxy-2,2'-binaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.099773610 u |
| Formula |
C23H16O5 |
| InChI |
InChI=1S/C23H16O5/c1-13(24)28-21-12-19(23(27-2)17-10-6-4-8-15(17)21)18-11-20(25)14-7-3-5-9-16(14)22(18)26/h3-12H,1-2H3 |
| InChIKey |
GANDGSRKVODBNJ-UHFFFAOYSA-N |
| Molecular Weight |
372.376 g/mol |
| SMILES |
C1=CC=CC2=C1C(=C(C=C2OC(C)=O)C1=CC(C2=CC=CC=C2C1=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900056 |
