| SpectraBase Compound ID | CaVbdwaJBx |
|---|---|
| InChI | InChI=1S/C29H52O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-27H2,1-2H3 |
| InChIKey | KBILTCCHKVZURZ-UHFFFAOYSA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C29H52O4 |
| Exact Mass | 464.38656 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 | 9jHIp8H8MQM |
|---|---|
| Name | Glutaric acid, dodec-9-ynyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.386560150 u |
| Formula | C29H52O4 |
| InChI | InChI=1S/C29H52O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-27H2,1-2H3 |
| InChIKey | KBILTCCHKVZURZ-UHFFFAOYSA-N |
| Molecular Weight | 464.731 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCCCCCCCCC)=O)=O)C |