| SpectraBase Compound ID | 1aw2momH8I |
|---|---|
| InChI | InChI=1S/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)29-23-25(27)24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9- |
| InChIKey | YJDYLKBQHAXVOQ-KTKRTIGZSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C26H40O3 |
| Exact Mass | 400.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aHTzv7bvUV |
|---|---|
| Name | Phenacyl oleiate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.297745145 u |
| Formula | C26H40O3 |
| InChI | InChI=1S/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)29-23-25(27)24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9- |
| InChIKey | YJDYLKBQHAXVOQ-KTKRTIGZSA-N |
| Molecular Weight | 400.603 g/mol |
| SMILES | C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(=O)C=1C=CC=CC1 |