| SpectraBase Compound ID | IMvo6mvhi2g |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-11-16-26-21(24)12-9-10-13-22(25)27-20-17-18(2)14-15-19(20)23/h14-15,17H,3-13,16H2,1-2H3 |
| InChIKey | UDMXVIUIZGXYAQ-UHFFFAOYSA-N |
| Mol Weight | 397.0 g/mol |
| Molecular Formula | C22H33ClO4 |
| Exact Mass | 396.206737 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 | 6j3lGJyahiz |
|---|---|
| Name | Adipic acid, 2-chloro-5-methylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.206737239 u |
| Formula | C22H33ClO4 |
| InChI | InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-11-16-26-21(24)12-9-10-13-22(25)27-20-17-18(2)14-15-19(20)23/h14-15,17H,3-13,16H2,1-2H3 |
| InChIKey | UDMXVIUIZGXYAQ-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCCCCCCCCC)=O |