| SpectraBase Compound ID | GAnotQJB8zY |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-9-8-14-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3 |
| InChIKey | YKCSYIYQRSVLAK-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GA3FwdDpoSn |
|---|---|
| Name | 5-Methylphenmetrazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-9-8-14-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3 |
| InChIKey | YKCSYIYQRSVLAK-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | CC1C(OCC(N1)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844532 |