| SpectraBase Compound ID | 1Awyvx40rmL |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-7-11(2)15-13(14)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey | SCHKLHXXJFHKBD-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 | AqoRd3ilwlw |
|---|---|
| Name | Benzeneacetic acid, 2-pentyl 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/c1-3-7-11(2)15-13(14)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey | SCHKLHXXJFHKBD-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=CC(CC(=O)OC(CCC)C)=CC=C1 |