| SpectraBase Compound ID | e5YSiwGDup |
|---|---|
| InChI | InChI=1S/C9H9N3OS/c10-9-11-12(8(13)6-14-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11) |
| InChIKey | VVCCDJHFGKNEQX-UHFFFAOYSA-N |
| Mol Weight | 207.25 g/mol |
| Molecular Formula | C9H9N3OS |
| Exact Mass | 207.046633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3rsrAlT8fsy |
|---|---|
| Name | 2-Amino-4-phenyl-1,3,4-thiadiazin-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.046633095 u |
| Formula | C9H9N3OS |
| InChI | InChI=1S/C9H9N3OS/c10-9-11-12(8(13)6-14-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11) |
| InChIKey | VVCCDJHFGKNEQX-UHFFFAOYSA-N |
| Molecular Weight | 207.251 g/mol |
| SMILES | C=1C=CC(N2N=C(N)SCC2=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960268 |