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6H-Dibenzo[b,d]thiopyran, 6,6'-oxybis-
SpectraBase Compound ID ITzgLDqhOfS
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
Mol Weight 410.55 g/mol
Molecular Formula C26H18OS2
Exact Mass 410.079908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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