| SpectraBase Compound ID | F5NESG5Mi6S |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-4-7-8-13-16-20-26-22(24)18-14-11-9-10-12-15-19-23(25)27-21(6-3)17-5-2/h21H,4,6-16,18-20H2,1-3H3 |
| InChIKey | DRIWMITZMYMGAW-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 | 1aqfxWLH64a |
|---|---|
| Name | Sebacic acid, heptyl hex-4-yn-3-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/c1-4-7-8-13-16-20-26-22(24)18-14-11-9-10-12-15-19-23(25)27-21(6-3)17-5-2/h21H,4,6-16,18-20H2,1-3H3 |
| InChIKey | DRIWMITZMYMGAW-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCC)=O)=O)(C#CC)CC |