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6,11-Dihydrodibenzo(B,E)thiepin-11-ol
SpectraBase Compound ID Hy0M21y2dHX
InChI InChI=1S/C14H12OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8,14-15H,9H2
InChIKey JLRRONOEUGUFFI-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C14H12OS
Exact Mass 228.060886 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HxuYiiNCoPQ
Name 6,11-Dihydrodibenzo(B,E)thiepin-11-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.060886179 u
Formula C14H12OS
InChI InChI=1S/C14H12OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8,14-15H,9H2
InChIKey JLRRONOEUGUFFI-UHFFFAOYSA-N
Molecular Weight 228.309 g/mol
SMILES C1(O)C=2C=CC=CC2SCC2=C1C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940307