| SpectraBase Compound ID | H1l8xS5Sjdk |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)7-11(13)8-12(14)15-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | AVQXTWUZOCHHCR-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Crizoanbqg3 |
|---|---|
| Name | Methyl 4-(tolyl)acetoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)7-11(13)8-12(14)15-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | AVQXTWUZOCHHCR-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(C(=O)OC)C(=O)CC=1C=CC(=CC1)C |