| SpectraBase Compound ID | 7laTlRTwIvc |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h3-17,19-20,22-25H2,1-2H3 |
| InChIKey | WQGZOSUVBCJTRE-UHFFFAOYSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C27H48O4 |
| Exact Mass | 436.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4WnR5uEZVtC |
|---|---|
| Name | Sebacic acid, butyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.355260022 u |
| Formula | C27H48O4 |
| InChI | InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h3-17,19-20,22-25H2,1-2H3 |
| InChIKey | WQGZOSUVBCJTRE-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | C(CCC#CCOC(CCCCCCCCC(OCCCC)=O)=O)CCCCCCC |