| SpectraBase Compound ID | LXhlSEXCxGf |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-13(2)18(19)20-17(15-10-5-4-6-11-15)16-12-8-7-9-14(16)3/h4-13,17H,1-3H3 |
| InChIKey | TUWLIUFABBTPIC-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEWazvKRbL3 |
|---|---|
| Name | 2-Methylbenzhydrol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-13(2)18(19)20-17(15-10-5-4-6-11-15)16-12-8-7-9-14(16)3/h4-13,17H,1-3H3 |
| InChIKey | TUWLIUFABBTPIC-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)C)=O)(C1=C(C)C=CC=C1)C1=CC=CC=C1 |