| SpectraBase Compound ID | 2dEIzgDfESe |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-5-6-7-12-18-15(17)13-8-10-14(11-9-13)16(2,3)4/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | NMZMYUFNTICNPP-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuHif2yIUY |
|---|---|
| Name | Benzoic acid, 4-tert-butyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-5-6-7-12-18-15(17)13-8-10-14(11-9-13)16(2,3)4/h8-11H,5-7,12H2,1-4H3 |
| InChIKey | NMZMYUFNTICNPP-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(=O)(OCCCCC)C=1C=CC(=CC1)C(C)(C)C |