| SpectraBase Spectrum ID |
ME2BZcABpb |
| Name |
5(4)-Methoxy-6-oxa-1(1,2),2,7(1,4),5(1,3)-tetrabenzenacyclononaphane-1(4),2(2)-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.183109313 u |
| Formula |
C29H26O4 |
| InChI |
InChI=1S/C29H26O4/c1-32-28-15-8-21-3-2-20-7-13-26(27(31)16-20)25-14-10-23(30)18-22(25)9-4-19-5-11-24(12-6-19)33-29(28)17-21/h5-8,10-18,30-31H,2-4,9H2,1H3 |
| InChIKey |
JYKRDVGMNOVIMG-UHFFFAOYSA-N |
| Molecular Weight |
438.523 g/mol |
| SMILES |
C1=2C=CC(=CC2)OC=2C=C(CCC3=CC=C(C(=C3)O)C3=CC=C(C=C3CC1)O)C=CC2OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883891 |
