| SpectraBase Compound ID | EDj3DkZC4hR |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-4-14(11(2)3)21-16(19)9-8-15(18)20-13-7-5-6-12(17)10-13/h5-7,10-11,14H,4,8-9H2,1-3H3 |
| InChIKey | AUTCQRBOMFTBMB-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 | DXtr2TvyGF8 |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 2-methylpent-3-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/c1-4-14(11(2)3)21-16(19)9-8-15(18)20-13-7-5-6-12(17)10-13/h5-7,10-11,14H,4,8-9H2,1-3H3 |
| InChIKey | AUTCQRBOMFTBMB-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC(C(C)C)CC)=O |