| SpectraBase Compound ID | JzzckrOoODl |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3 |
| InChIKey | OTNIKUTWXUODJZ-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ALIVGitiYF2 |
|---|---|
| Name | 7-(Ethyl)amino-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3 |
| InChIKey | OTNIKUTWXUODJZ-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2C)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927931 |