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Pimelic acid, 3,5-dichlorophenyl butyl ester
SpectraBase Compound ID yaYy9YbUmL
InChI InChI=1S/C17H22Cl2O4/c1-2-3-9-22-16(20)7-5-4-6-8-17(21)23-15-11-13(18)10-14(19)12-15/h10-12H,2-9H2,1H3
InChIKey UARKSNZTXKELGS-UHFFFAOYSA-N
Mol Weight 361.27 g/mol
Molecular Formula C17H22Cl2O4
Exact Mass 360.089515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvSRwjWn30n
Name Pimelic acid, 3,5-dichlorophenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22Cl2O4
InChI InChI=1S/C17H22Cl2O4/c1-2-3-9-22-16(20)7-5-4-6-8-17(21)23-15-11-13(18)10-14(19)12-15/h10-12H,2-9H2,1H3
InChIKey UARKSNZTXKELGS-UHFFFAOYSA-N
Molecular Weight 361.265 g/mol
SMILES C(CCCCCC(Oc1cc(cc(c1)Cl)Cl)=O)(OCCCC)=O
SPLASH splash10-004m-7900000000-612048e3fb6adeb11dfb
Source of Spectrum TIPS-2022-648-0
Wiley ID 1822165