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Pimelic acid, 2-chloro-5-methylphenyl hexyl ester
SpectraBase Compound ID JvRG6VezDxh
InChI InChI=1S/C20H29ClO4/c1-3-4-5-9-14-24-19(22)10-7-6-8-11-20(23)25-18-15-16(2)12-13-17(18)21/h12-13,15H,3-11,14H2,1-2H3
InChIKey MEVBLWGOUUXNFH-UHFFFAOYSA-N
Mol Weight 368.9 g/mol
Molecular Formula C20H29ClO4
Exact Mass 368.175437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uh4RpfAAEg
Name Pimelic acid, 2-chloro-5-methylphenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29ClO4
InChI InChI=1S/C20H29ClO4/c1-3-4-5-9-14-24-19(22)10-7-6-8-11-20(23)25-18-15-16(2)12-13-17(18)21/h12-13,15H,3-11,14H2,1-2H3
InChIKey MEVBLWGOUUXNFH-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OCCCCCC)=O
SPLASH splash10-002f-7910000000-5cde53e78ea6b88501a9
Source of Spectrum TIPS-2022-752-0
Wiley ID 1822269