| SpectraBase Compound ID | FGvnr8A5KOd |
|---|---|
| InChI | InChI=1S/C21H31ClO5/c1-2-3-4-5-6-7-8-9-14-26-20(23)16-25-17-21(24)27-15-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3 |
| InChIKey | LNWUEUDZTRVYAT-UHFFFAOYSA-N |
| Mol Weight | 398.93 g/mol |
| Molecular Formula | C21H31ClO5 |
| Exact Mass | 398.186002 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 | It0E5Ixge9L |
|---|---|
| Name | Diglycolic acid, 4-chlorobenzyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.186001793 u |
| Formula | C21H31ClO5 |
| InChI | InChI=1S/C21H31ClO5/c1-2-3-4-5-6-7-8-9-14-26-20(23)16-25-17-21(24)27-15-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3 |
| InChIKey | LNWUEUDZTRVYAT-UHFFFAOYSA-N |
| Molecular Weight | 398.927 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCC1=CC=C(C=C1)Cl |