| SpectraBase Spectrum ID |
BlkGroQ2TK2 |
| Name |
2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),6(4)-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.167459249 u |
| Formula |
C28H24O4 |
| InChI |
InChI=1S/C28H24O4/c29-23-12-11-22-10-6-19-7-13-24(14-8-19)31-28-17-21(9-15-26(28)30)5-4-20-2-1-3-25(16-20)32-27(22)18-23/h1-3,7-9,11-18,29-30H,4-6,10H2 |
| InChIKey |
RHTVBYAYWHIJLP-UHFFFAOYSA-N |
| Molecular Weight |
424.496 g/mol |
| SMILES |
C1=C2C(=CC(=C1)O)OC=1C=C(C=CC1)CCC1=CC(=C(C=C1)O)OC1=CC=C(CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920991 |
