SpectraBase Spectrum ID |
7AeqES0iPTW |
Name |
6H-Dibenzo[B,D]thiopyran, 6,6'-oxybis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
410.079907547 u |
Formula |
C26H18OS2 |
InChI |
InChI=1S/C26H18OS2/c1-3-13-21-17(9-1)19-11-5-7-15-23(19)28-25(21)27-26-22-14-4-2-10-18(22)20-12-6-8-16-24(20)29-26/h1-16,25-26H |
InChIKey |
QDOMDNYYBMLNJX-UHFFFAOYSA-N |
Molecular Weight |
410.549 g/mol |
SMILES |
C1(SC2=CC=CC=C2C=2C1=CC=CC2)OC1SC2=CC=CC=C2C=2C1=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932913 |