| SpectraBase Compound ID | 2IhembPU1XH |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-3-4-10-20-15(18)6-5-7-16(19)21-14-11-12(2)8-9-13(14)17/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | HKWDXCYJYZCQMJ-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KQFIKO1kUwA |
|---|---|
| Name | Glutaric acid, butyl 2-chloro-5-methylphenyl 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/c1-3-4-10-20-15(18)6-5-7-16(19)21-14-11-12(2)8-9-13(14)17/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | HKWDXCYJYZCQMJ-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C1(OC(=O)CCCC(=O)OCCCC)=C(C=CC(=C1)C)Cl |