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Pimelic acid, 2-chloro-5-methylphenyl butyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-chloro-5-methylphenyl butyl ester
SpectraBase Compound ID I01kl7KUb74
InChI InChI=1S/C18H25ClO4/c1-3-4-12-22-17(20)8-6-5-7-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3
InChIKey VISCVTBMMASEOW-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C18H25ClO4
Exact Mass 340.144137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIuVdEGp6A3
Name Pimelic acid, 2-chloro-5-methylphenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25ClO4
InChI InChI=1S/C18H25ClO4/c1-3-4-12-22-17(20)8-6-5-7-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3
InChIKey VISCVTBMMASEOW-UHFFFAOYSA-N
Molecular Weight 340.847 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OCCCC)=O
SPLASH splash10-002g-6900000000-cdc720bf0aa3d292d3f8
Source of Spectrum TIPS-2022-750-0
Wiley ID 1822267