| SpectraBase Compound ID | gFPCJh0CjZ |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h9-13H,4-8H2,1-3H3 |
| InChIKey | MBWIVLMYWMIOJX-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 | E2VydCCs3OM |
|---|---|
| Name | 4-Methoxybenzoic acid, 2-octyl 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/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h9-13H,4-8H2,1-3H3 |
| InChIKey | MBWIVLMYWMIOJX-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | CC(OC(C1=CC=C(C=C1)OC)=O)CCCCCC |