| SpectraBase Compound ID | 3GuZ29dgOg5 |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-8-5-4-6-10(7-8)11(12-3)9(2)13/h4-7H,1-3H3/b12-11+ |
| InChIKey | YUARJXYNWSOMJS-VAWYXSNFSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HSF2XatGLbR |
|---|---|
| Name | iso-3-Methylmethcathinone-A (-2H) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-8-5-4-6-10(7-8)11(12-3)9(2)13/h4-7H,1-3H3/b12-11+ |
| InChIKey | YUARJXYNWSOMJS-VAWYXSNFSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C1(\C(C(=O)C)=N\C)=CC(=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940483 |