| SpectraBase Spectrum ID |
6HZi8Mqo7cD |
| Name |
Dibenzo[B,E]thiepine-2-carbonitrile, 6,11-dihydro-11-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.040485087 u |
| Formula |
C15H9NOS |
| InChI |
InChI=1S/C15H9NOS/c16-8-10-5-6-14-13(7-10)15(17)12-4-2-1-3-11(12)9-18-14/h1-7H,9H2 |
| InChIKey |
KIHIUUYLZFWSGB-UHFFFAOYSA-N |
| Molecular Weight |
251.303 g/mol |
| SMILES |
C1(C2=C(SCC3=C1C=CC=C3)C=CC(C#N)=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912114 |
![Dibenzo[b,E]thiepine-2-carbonitrile, 6,11-dihydro-11-oxo-](/api/spectrum/6HZi8Mqo7cD/structure.png?h=300&w=458 "Dibenzo[b,E]thiepine-2-carbonitrile, 6,11-dihydro-11-oxo-")
