| SpectraBase Compound ID | KEX1abGhrAl |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-4-6-10-14(5-2)12-18-16(17)15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3 |
| InChIKey | BLGGAUBRVAWOMU-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 | Gt9m7jxVeJ7 |
|---|---|
| Name | o-Toluic acid, 2-ethylhexyl 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/c1-4-6-10-14(5-2)12-18-16(17)15-11-8-7-9-13(15)3/h7-9,11,14H,4-6,10,12H2,1-3H3 |
| InChIKey | BLGGAUBRVAWOMU-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1=C(C(C(OCC(CCCC)CC)=O)=CC=C1)C |