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Pimelic acid, 2,6-dichlorobenzyl isopropyl ester
SpectraBase Compound ID 8oTMb6hm1Ls
InChI InChI=1S/C17H22Cl2O4/c1-12(2)23-17(21)10-5-3-4-9-16(20)22-11-13-14(18)7-6-8-15(13)19/h6-8,12H,3-5,9-11H2,1-2H3
InChIKey LLMCTWGMIPVZPH-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 CFA1NJARlpq
Name Pimelic acid, 2,6-dichlorobenzyl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22Cl2O4
InChI InChI=1S/C17H22Cl2O4/c1-12(2)23-17(21)10-5-3-4-9-16(20)22-11-13-14(18)7-6-8-15(13)19/h6-8,12H,3-5,9-11H2,1-2H3
InChIKey LLMCTWGMIPVZPH-UHFFFAOYSA-N
Molecular Weight 361.265 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OC(C)C)=O
SPLASH splash10-0btc-4900000000-fae579bb5e2fd91021d6
Source of Spectrum TIPS-2022-735-0
Wiley ID 1822252