SpectraBase Compound ID | GnSqwBaN0IE |
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InChI | InChI=1S/C18H25ClO4/c1-2-3-7-13-22-17(20)11-5-4-6-12-18(21)23-16-10-8-9-15(19)14-16/h8-10,14H,2-7,11-13H2,1H3 |
InChIKey | FQOPPUXDFFWXOW-UHFFFAOYSA-N |
Mol Weight | 340.85 g/mol |
Molecular Formula | C18H25ClO4 |
Exact Mass | 340.144137 g/mol |
SpectraBase Spectrum ID | 7hzzapZZDE6 |
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Name | Pimelic acid, 3-chlorophenyl pentyl 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/c1-2-3-7-13-22-17(20)11-5-4-6-12-18(21)23-16-10-8-9-15(19)14-16/h8-10,14H,2-7,11-13H2,1H3 |
InChIKey | FQOPPUXDFFWXOW-UHFFFAOYSA-N |
Molecular Weight | 340.847 g/mol |
SMILES | C(OC1=CC=CC(=C1)Cl)(=O)CCCCCC(OCCCCC)=O |