| SpectraBase Spectrum ID |
4G2DMr0HGK8 |
| Name |
1,8-Dihydroxy-10-(3-benzyloxy-4-methoxybenzylidene)-10H-anthracen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.146723803 u |
| Formula |
C29H22O5 |
| InChI |
InChI=1S/C29H22O5/c1-33-25-14-13-19(16-26(25)34-17-18-7-3-2-4-8-18)15-22-20-9-5-11-23(30)27(20)29(32)28-21(22)10-6-12-24(28)31/h2-16,30-31H,17H2,1H3 |
| InChIKey |
QCPLNQDEWKEYBR-UHFFFAOYSA-N |
| Molecular Weight |
450.490 g/mol |
| SMILES |
C1(C2=C(C(O)=CC=C2)C(C=2C1=CC=CC2O)=O)=CC=1C=C(OCC=2C=CC=CC2)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926797 |
