| SpectraBase Compound ID | CBFUx10apQ3 |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-4-13(15)14-8-7-11-5-6-12(16-3)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3,(H,14,15) |
| InChIKey | FVLJWWVCWBLYHO-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 | 7VgDMhKB1zZ |
|---|---|
| Name | 3-me-4-meo-pea Prop |
| 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/c1-4-13(15)14-8-7-11-5-6-12(16-3)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3,(H,14,15) |
| InChIKey | FVLJWWVCWBLYHO-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C=1(C(=CC(=CC1)CCNC(CC)=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958795 |