| SpectraBase Compound ID | BbRH6tT7mBD |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-9-14(2)22-17(20)12-8-13-18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | MOTBQTLMJHYQRC-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8JnY2ZNnd1 |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-9-14(2)22-17(20)12-8-13-18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | MOTBQTLMJHYQRC-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC=1C(=CC=CC1)Cl)=O |