| SpectraBase Compound ID | LHlatKAO4SA |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-4-11(2)10-20-15(18)7-8-16(19)21-13-5-6-14(17)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3 |
| InChIKey | DRCDLQHROBEQOF-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 | BjuwtTxhkhQ |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 2-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/c1-4-11(2)10-20-15(18)7-8-16(19)21-13-5-6-14(17)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3 |
| InChIKey | DRCDLQHROBEQOF-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(CC)C)=O |