| SpectraBase Compound ID | FKRhpPSPb0f |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h7-10H,5-6,11H2,1-4H3 |
| InChIKey | BMSNGGLCKZGIEY-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DlOZd1TLU8j |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h7-10H,5-6,11H2,1-4H3 |
| InChIKey | BMSNGGLCKZGIEY-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(=O)(OCCCC)C=1C=CC(=CC1)C(C)(C)C |