| SpectraBase Compound ID | I6RblB4MoDW |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-3-4-12(15)13-11-7-5-10(6-8-11)9(2)14/h5-8H,3-4H2,1-2H3,(H,13,15) |
| InChIKey | KJUCBOHGQYYIQU-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kyz2nsdypws |
|---|---|
| Name | 4'-Acetylbutyranilide |
| 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/c1-3-4-12(15)13-11-7-5-10(6-8-11)9(2)14/h5-8H,3-4H2,1-2H3,(H,13,15) |
| InChIKey | KJUCBOHGQYYIQU-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | N(C1=CC=C(C=C1)C(C)=O)C(CCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.88023 |