| SpectraBase Compound ID | 13ttOziIVDC |
|---|---|
| InChI | InChI=1S/C16H32O9/c1-18-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-15-16(17)19-2/h3-15H2,1-2H3 |
| InChIKey | MIFHWGUMGDZDTR-UHFFFAOYSA-N |
| Mol Weight | 368.4 g/mol |
| Molecular Formula | C16H32O9 |
| Exact Mass | 368.204633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuUnls1r8ir |
|---|---|
| Name | Methyl 2,5,8,11,14,17,20-heptaoxadocosan-22-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.204632601 u |
| Formula | C16H32O9 |
| InChI | InChI=1S/C16H32O9/c1-18-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-15-16(17)19-2/h3-15H2,1-2H3 |
| InChIKey | MIFHWGUMGDZDTR-UHFFFAOYSA-N |
| Molecular Weight | 368.423 g/mol |
| SMILES | COCCOCCOCCOCCOCCOCCOCC(OC)=O |