| SpectraBase Compound ID | BYJ75IbeAAF |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(19)20-18(2,3)4/h5-12H,1-4H3 |
| InChIKey | TWWJQWIUIBFKOJ-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 | CiZLyN4ZITL |
|---|---|
| Name | 3-(3-Methylphenyl)benzoic acid tert-butyl ester |
| 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/c1-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(19)20-18(2,3)4/h5-12H,1-4H3 |
| InChIKey | TWWJQWIUIBFKOJ-UHFFFAOYSA-N |
| SMILES | C=1(C=C(C=CC1)C)C=1C=C(C=CC1)C(=O)OC(C)(C)C |