| SpectraBase Compound ID | 4MBRpFk1wgh |
|---|---|
| InChI | InChI=1S/C10H8N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H,1H2,(H,11,12,13) |
| InChIKey | VCHFWHQHIKFOIC-UHFFFAOYSA-N |
| Mol Weight | 172.19 g/mol |
| Molecular Formula | C10H8N2O |
| Exact Mass | 172.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Gl7NswkJAX |
|---|---|
| Name | 2-Ethenyl-1H-quinazolin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.063662885 u |
| Formula | C10H8N2O |
| InChI | InChI=1S/C10H8N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H,1H2,(H,11,12,13) |
| InChIKey | VCHFWHQHIKFOIC-UHFFFAOYSA-N |
| Molecular Weight | 172.187 g/mol |
| SMILES | C1(NC(C=C)=NC2=C1C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944162 |