| SpectraBase Compound ID | Lh9jScD6v4w |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-3-4-8-14(11-12-18-2)13-19-16(17)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3 |
| InChIKey | XPFIBKILBHEPLF-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaPpsHzfEWJ |
|---|---|
| Name | Benzoic acid, 2-(2-methoxyethyl)hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-3-4-8-14(11-12-18-2)13-19-16(17)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3 |
| InChIKey | XPFIBKILBHEPLF-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | COCCC(COC(C1=CC=CC=C1)=O)CCCC |