| SpectraBase Compound ID | 7lOuiYC3E2R |
|---|---|
| InChI | InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h12-13,23,25-26H,4-11,14-22H2,1-3H3/b13-12- |
| InChIKey | MBRSRCRLCFCMQD-SEYXRHQNSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C28H48O2 |
| Exact Mass | 416.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDfE5A0bXYg |
|---|---|
| Name | Sabinyl oleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.365430784 u |
| Formula | C28H48O2 |
| InChI | InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h12-13,23,25-26H,4-11,14-22H2,1-3H3/b13-12- |
| InChIKey | MBRSRCRLCFCMQD-SEYXRHQNSA-N |
| Molecular Weight | 416.690 g/mol |
| SMILES | C(CCCCCCC\C=C/CCCCCCCC)(=O)OC1CC2(CC2C1=C)C(C)C |