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Pimelic acid, 3,5-dichlorophenyl isobutyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3,5-dichlorophenyl isobutyl ester
SpectraBase Compound ID LyPp05kSmgS
InChI InChI=1S/C17H22Cl2O4/c1-12(2)11-22-16(20)6-4-3-5-7-17(21)23-15-9-13(18)8-14(19)10-15/h8-10,12H,3-7,11H2,1-2H3
InChIKey ZTOOWKVXZOYZEA-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 3cfWifOetfZ
Name Pimelic acid, 3,5-dichlorophenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22Cl2O4
InChI InChI=1S/C17H22Cl2O4/c1-12(2)11-22-16(20)6-4-3-5-7-17(21)23-15-9-13(18)8-14(19)10-15/h8-10,12H,3-7,11H2,1-2H3
InChIKey ZTOOWKVXZOYZEA-UHFFFAOYSA-N
Molecular Weight 361.265 g/mol
SMILES C(CCCCCC(Oc1cc(cc(c1)Cl)Cl)=O)(OCC(C)C)=O
SPLASH splash10-054p-7900000000-3e6b374c7550cb1b0e64
Source of Spectrum TIPS-2022-647-0
Wiley ID 1822164