| SpectraBase Compound ID | HmRcp7kXgoh |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(16(2,3)4)20-14(18)8-9-15(19)21-13-7-5-6-12(17)10-13/h5-7,10-11H,8-9H2,1-4H3 |
| InChIKey | QUPDTWCKLOSRJN-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 | BSJFlhgw4UJ |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 3,3-dimethylbut-2-yl 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/c1-11(16(2,3)4)20-14(18)8-9-15(19)21-13-7-5-6-12(17)10-13/h5-7,10-11H,8-9H2,1-4H3 |
| InChIKey | QUPDTWCKLOSRJN-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(C(C)(C)C)C)=O |