| SpectraBase Compound ID | O12Yu0gpYO |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)16-15-17-23(25)27-20-18-21(2)3/h21H,4-12,15-20H2,1-3H3 |
| InChIKey | JANKHBOOFSPMDY-UHFFFAOYSA-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 | 9TI8C7CsRW8 |
|---|---|
| Name | Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl 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/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)16-15-17-23(25)27-20-18-21(2)3/h21H,4-12,15-20H2,1-3H3 |
| InChIKey | JANKHBOOFSPMDY-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCC(C)C)=O |