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Dibenzo[b,d]thiepin, 6,7-dihydro-6,6-diphenyl-
SpectraBase Compound ID GqWStP35iPm
InChI InChI=1S/C26H20S/c1-3-12-21(13-4-1)26(22-14-5-2-6-15-22)19-20-11-7-8-16-23(20)24-17-9-10-18-25(24)27-26/h1-18H,19H2
InChIKey SKHGREOCAKBITJ-UHFFFAOYSA-N
Mol Weight 364.51 g/mol
Molecular Formula C26H20S
Exact Mass 364.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2a8WrPJPcxf
Name Dibenzo[B,D]thiepin, 6,7-dihydro-6,6-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.128571818 u
Formula C26H20S
InChI InChI=1S/C26H20S/c1-3-12-21(13-4-1)26(22-14-5-2-6-15-22)19-20-11-7-8-16-23(20)24-17-9-10-18-25(24)27-26/h1-18H,19H2
InChIKey SKHGREOCAKBITJ-UHFFFAOYSA-N
Molecular Weight 364.506 g/mol
SMILES C1(SC=2C(=CC=CC2)C=2C(C1)=CC=CC2)(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981977