| SpectraBase Compound ID | 4PFUYzIVrt4 |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-13-4-5-14(17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3 |
| InChIKey | FHXJHEYNPXVFJH-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LpmCVR70rC |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 3-methylbutyl 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(2)8-9-20-15(18)6-7-16(19)21-13-4-5-14(17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3 |
| InChIKey | FHXJHEYNPXVFJH-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | CC1=C(C=CC(=C1)OC(=O)CCC(OCCC(C)C)=O)Cl |