| SpectraBase Compound ID | 4EM57OlfVKG |
|---|---|
| InChI | InChI=1S/C11H12N2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-9,11H,1H3 |
| InChIKey | INYSMNNRXZRWLJ-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C11H12N2 |
| Exact Mass | 172.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hs1xrzvB9d0 |
|---|---|
| Name | 2-Methyl-3-phenyldihydropyrazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.100048394 u |
| Formula | C11H12N2 |
| InChI | InChI=1S/C11H12N2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-9,11H,1H3 |
| InChIKey | INYSMNNRXZRWLJ-UHFFFAOYSA-N |
| Molecular Weight | 172.231 g/mol |
| SMILES | C1(N=CC=NC1C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894477 |