| SpectraBase Compound ID | Bbdp02lV94I |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3 |
| InChIKey | LMJQGWOQAMWLDJ-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 | eWNkpbc6ND |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl heptadecyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3 |
| InChIKey | LMJQGWOQAMWLDJ-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OCCCCCCCCCCCCCCCCC)=O |