| SpectraBase Compound ID | Gs2RQ2o6W4F |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-8-5-4-6-9(2)12(8)13-11(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15) |
| InChIKey | NDVRDNPIOIFXSL-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 | 4pVItpgXCnQ |
|---|---|
| Name | 2',6'-Acetoacetoxylidide |
| 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/c1-8-5-4-6-9(2)12(8)13-11(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15) |
| InChIKey | NDVRDNPIOIFXSL-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | N(C=1C(C)=CC=CC1C)C(=O)CC(=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.940036 |