| SpectraBase Compound ID | 1grHXvecrjG |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2 |
| InChIKey | SHAHIVFCWMQQOK-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 | 35VY3CF65aa |
|---|---|
| Name | Succinic acid, phenyl 6-chlorohexyl 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/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2 |
| InChIKey | SHAHIVFCWMQQOK-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(Cl)CCCCCOC(CCC(OC1=CC=CC=C1)=O)=O |