| SpectraBase Spectrum ID |
7DWD3hTM5NQ |
| Name |
4-Phenyl-2-sulfanyl-3,4-dihydro-5H-indeno[1,2-D]pyrimidin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.067034187 u |
| Formula |
C17H12N2OS |
| InChI |
InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21) |
| InChIKey |
BGQSZBPWPOXQTF-UHFFFAOYSA-N |
| Molecular Weight |
292.356 g/mol |
| SMILES |
C1(=S)NC(C2=C(N1)C1=C(C2=O)C=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879848 |
![4-Phenyl-2-sulfanyl-3,4-dihydro-5H-indeno[1,2-D]pyrimidin-5-one](/api/spectrum/7DWD3hTM5NQ/structure.png?h=300&w=458 "4-Phenyl-2-sulfanyl-3,4-dihydro-5H-indeno[1,2-D]pyrimidin-5-one")
