![Phen-1,3-diol, 2-[3-oxohexadecanoyl]-](/api/spectrum/I4guEi4atZg/structure.png?h=300&w=458 "Phen-1,3-diol, 2-[3-oxohexadecanoyl]-")
| SpectraBase Compound ID | BukHX5wVy2n |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(23)17-21(26)22-19(24)15-13-16-20(22)25/h13,15-16,24-25H,2-12,14,17H2,1H3 |
| InChIKey | UXSXORUDTPCRAY-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4guEi4atZg |
|---|---|
| Name | Phen-1,3-diol, 2-[3-oxohexadecanoyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(23)17-21(26)22-19(24)15-13-16-20(22)25/h13,15-16,24-25H,2-12,14,17H2,1H3 |
| InChIKey | UXSXORUDTPCRAY-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1(=C(C(=CC=C1)O)C(CC(CCCCCCCCCCCCC)=O)=O)O |