| SpectraBase Compound ID | 4Gbq2Yodxnu |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(2)9-12(3)20-15(18)7-8-16(19)21-14-6-4-5-13(17)10-14/h4-6,10-12H,7-9H2,1-3H3 |
| InChIKey | HMUVKWIFXJMIBT-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 | Ax6v13fKZB7 |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 4-methylpent-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(2)9-12(3)20-15(18)7-8-16(19)21-14-6-4-5-13(17)10-14/h4-6,10-12H,7-9H2,1-3H3 |
| InChIKey | HMUVKWIFXJMIBT-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(C)CC(C)C)=O |