| SpectraBase Compound ID | 43i4qeUHo8y |
|---|---|
| InChI | InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20-2/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | PVYKKUGCNXURBV-UHFFFAOYSA-N |
| Mol Weight | 292.42 g/mol |
| Molecular Formula | C18H28O3 |
| Exact Mass | 292.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1F3Dovt0jUb |
|---|---|
| Name | p-(Decyloxy)benzoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.203844759 u |
| Formula | C18H28O3 |
| InChI | InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20-2/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | PVYKKUGCNXURBV-UHFFFAOYSA-N |
| Molecular Weight | 292.419 g/mol |
| SMILES | C=1C(=CC=C(C1)C(OC)=O)OCCCCCCCCCC |