| SpectraBase Compound ID | 3fpfbsuhQwk |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-7-6-12(2)11-13(14)17/h6-7,11H,3-5,8-10H2,1-2H3 |
| InChIKey | KFSMQJZDWJUYSF-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 | EbA7M8WqwGS |
|---|---|
| Name | Succinic acid, 2-chloro-4-methylphenyl pentyl 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/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-7-6-12(2)11-13(14)17/h6-7,11H,3-5,8-10H2,1-2H3 |
| InChIKey | KFSMQJZDWJUYSF-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(OC1=C(C=C(C=C1)C)Cl)(CCC(OCCCCC)=O)=O |