| SpectraBase Compound ID | CbTdniDYQCb |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-12-13-16-20-26-22(24)18-15-14-17-21(23)25-19-4-2/h3-12,14-15,17-20H2,1-2H3 |
| InChIKey | UYIFSTMHBCRDSK-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 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 | IKAoAnrZ0AH |
|---|---|
| Name | Adipic acid, propyl tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-12-13-16-20-26-22(24)18-15-14-17-21(23)25-19-4-2/h3-12,14-15,17-20H2,1-2H3 |
| InChIKey | UYIFSTMHBCRDSK-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(OC(=O)CCCCC(OCCC)=O)C#CCCCCCCCCCC |