| SpectraBase Compound ID | KTQEM8X4fTE |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-12-18-24-20(22)16-10-11-17-21(23)25-19-14-13-15-19/h19H,2-18H2,1H3 |
| InChIKey | IDURHNAYKDDWKM-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 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 | JuuGgagtSHE |
|---|---|
| Name | Adipic acid, cyclobutyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-12-18-24-20(22)16-10-11-17-21(23)25-19-14-13-15-19/h19H,2-18H2,1H3 |
| InChIKey | IDURHNAYKDDWKM-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCOC(CCCCC(=O)OC1CCC1)=O)CCCCCCCC |