| SpectraBase Compound ID | 2ddCbWYOmW6 |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-14(9-11)16(17)18-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3 |
| InChIKey | MIBMYXKXZWXSNM-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K15gWcVb5Wu |
|---|---|
| Name | 3-Methylbenzoic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-14(9-11)16(17)18-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3 |
| InChIKey | MIBMYXKXZWXSNM-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(OC=1C=CC(C)=C(C)C1)=O |