| SpectraBase Compound ID | B7gk687J4rU |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3 |
| InChIKey | WARXKCSTKHDFFE-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzsGLhhJVya |
|---|---|
| Name | 2-Octyl benzoate |
| 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/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3 |
| InChIKey | WARXKCSTKHDFFE-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1=CC(C(OC(CCCCCC)C)=O)=CC=C1 |