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 |