| SpectraBase Compound ID | ZMbUEAEiGZ |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-3-10-6-4-5-7-11(10)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15) |
| InChIKey | BSGZZIRKDQLKBD-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34nUw24Ijnj |
|---|---|
| Name | 2'-Ethylacetoacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-3-10-6-4-5-7-11(10)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15) |
| InChIKey | BSGZZIRKDQLKBD-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C(NC=1C(=CC=CC1)CC)(CC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874568 |