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 |