| SpectraBase Compound ID | ecmmTml0nx |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-3-5-7-9-11-13-15-20-26-22(24)18-17-19-23(25)27-21-16-14-12-10-8-6-4-2/h11-14H,3-10,15-21H2,1-2H3/b13-11-,14-12- |
| InChIKey | LGJSNDICMONKCV-XSYHWHKQSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LMDyrTzkzC |
|---|---|
| Name | Glutraic acid, di(cis-non-3-enyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-3-5-7-9-11-13-15-20-26-22(24)18-17-19-23(25)27-21-16-14-12-10-8-6-4-2/h11-14H,3-10,15-21H2,1-2H3/b13-11-,14-12- |
| InChIKey | LGJSNDICMONKCV-XSYHWHKQSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(\C=C/CCCCC)COC(=O)CCCC(=O)OCC\C=C/CCCCC |