| SpectraBase Compound ID | 9DEAgWfAKCk |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey | SIQKSKIHIRLLNF-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 | KBR9vZ7Aciz |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl 4-chlorobenzyl 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)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey | SIQKSKIHIRLLNF-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |