| SpectraBase Compound ID | 1ILJkIbsGzG |
|---|---|
| InChI | InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3 |
| InChIKey | VDRGNAMREYBIHA-UHFFFAOYSA-N |
| Mol Weight | 209.29 g/mol |
| Molecular Formula | C12H19NO2 |
| Exact Mass | 209.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7nbZKvWQtsD |
|---|---|
| Name | 2C-E |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.141578854 u |
| Formula | C12H19NO2 |
| InChI | InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3 |
| InChIKey | VDRGNAMREYBIHA-UHFFFAOYSA-N |
| Molecular Weight | 209.289 g/mol |
| SMILES | C1=C(C(=CC(=C1OC)CCN)OC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841893 |