| SpectraBase Compound ID | A5rpnn8VdRi |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3 |
| InChIKey | UJKWLAZYSLJTKA-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HtdXi0BxGQ |
|---|---|
| Name | 3,4-Edma |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3 |
| InChIKey | UJKWLAZYSLJTKA-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | N(C(CC1=CC=C2OCCOC2=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98528 |