| SpectraBase Compound ID | 9iv36JyUorX |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-12-7-3-5-9-14(12)11-18-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3 |
| InChIKey | MBIGBQIEPKEBLI-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 | JNnrE6gVkFc |
|---|---|
| Name | Benzoic acid, 2-methyl-, (2-methylphenyl)methyl 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/c1-12-7-3-5-9-14(12)11-18-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3 |
| InChIKey | MBIGBQIEPKEBLI-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C(OCC1=C(C)C=CC=C1)(=O)C1=C(C)C=CC=C1 |