| SpectraBase Compound ID | 3ykEl8Y5bEQ |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-14(2,3)17-13(16)12-8-6-11(7-9-12)5-4-10-15/h6-9,15H,4-5,10H2,1-3H3 |
| InChIKey | KETRWUPPOVURFZ-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K17sLBee1Ii |
|---|---|
| Name | 4-(3-Hydroxypropyl)benzoic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-14(2,3)17-13(16)12-8-6-11(7-9-12)5-4-10-15/h6-9,15H,4-5,10H2,1-3H3 |
| InChIKey | KETRWUPPOVURFZ-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(OC(C)(C)C)(C1=CC=C(C=C1)CCCO)=O |