| SpectraBase Spectrum ID |
AK3FxXpjIx5 |
| Name |
6,7-Benzo-3,4-(1,4-dimethoxy-2,3-naphtho)-1-oxosuberane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.125594437 u |
| Formula |
C21H18O3 |
| InChI |
InChI=1S/C21H18O3/c1-23-20-15-9-5-6-10-16(15)21(24-2)18-12-19(22)14-8-4-3-7-13(14)11-17(18)20/h3-10H,11-12H2,1-2H3 |
| InChIKey |
YBBPUZQETLLVIK-UHFFFAOYSA-N |
| Molecular Weight |
318.372 g/mol |
| SMILES |
C1=2C(=C(OC)C3=C(C2OC)C=CC=C3)CC=2C=CC=CC2C(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829788 |
