| SpectraBase Compound ID | AAu25m3vgJm |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-9-13-17(7-3)23-19(21)15-11-12-16-20(22)24-18(8-4)14-10-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HBNOQOBSGMHAMR-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 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 | IjiijwPCUyC |
|---|---|
| Name | Adipic acid, di(3-heptyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-5-9-13-17(7-3)23-19(21)15-11-12-16-20(22)24-18(8-4)14-10-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | HBNOQOBSGMHAMR-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(C(OC(CC)CCCC)=O)CCCC(OC(CC)CCCC)=O |