| SpectraBase Compound ID | DZSRvC7IlAd |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-9-7-12(5-6-13(9)16-4)8-10(2)14-11(3)15/h5-7,10H,8H2,1-4H3,(H,14,15) |
| InChIKey | BYKAEDFLHWUBSO-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eWDKXOKYGP |
|---|---|
| Name | 3-me-4-ma ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-9-7-12(5-6-13(9)16-4)8-10(2)14-11(3)15/h5-7,10H,8H2,1-4H3,(H,14,15) |
| InChIKey | BYKAEDFLHWUBSO-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)C)CC(NC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979477 |