| SpectraBase Compound ID | EqYFpeOKENe |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-12(2)6-5-11-20-15(18)9-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | JFAGBEHEABNXNA-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 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 | 8tjkvltmoWU |
|---|---|
| Name | Succinic acid, 2-chlorophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-12(2)6-5-11-20-15(18)9-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | JFAGBEHEABNXNA-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CC(C)CCCOC(CCC(OC1=C(C=CC=C1)Cl)=O)=O |