| SpectraBase Compound ID | BOmHIQjea8q |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)20-19-21-27(29)31-24-22-25(2)3/h2,4-24H2,1,3H3 |
| InChIKey | JMDINDGVKVGZPD-UHFFFAOYSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C27H50O4 |
| Exact Mass | 438.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOCAi9o681X |
|---|---|
| Name | Glutaric acid, heptadecyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.370910086 u |
| Formula | C27H50O4 |
| InChI | InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)20-19-21-27(29)31-24-22-25(2)3/h2,4-24H2,1,3H3 |
| InChIKey | JMDINDGVKVGZPD-UHFFFAOYSA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | CC(CCOC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)=C |