| SpectraBase Compound ID | 1J7SSfjo7NK |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10H,3-6H2,1-2H3 |
| InChIKey | NKAVJELRFJVPEE-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XdGMb2sROI |
|---|---|
| Name | 4-Butylbenzoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10H,3-6H2,1-2H3 |
| InChIKey | NKAVJELRFJVPEE-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(OCC)C1=CC=C(CCCC)C=C1 |