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Pimelic acid, 2,3,5-trichlorophenyl propyl ester
SpectraBase Compound ID 6nD8vdKfNkl
InChI InChI=1S/C16H19Cl3O4/c1-2-8-22-14(20)6-4-3-5-7-15(21)23-13-10-11(17)9-12(18)16(13)19/h9-10H,2-8H2,1H3
InChIKey XTCDXKNGIGIZOG-UHFFFAOYSA-N
Mol Weight 381.68 g/mol
Molecular Formula C16H19Cl3O4
Exact Mass 380.034892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImpRqBeihMH
Name Pimelic acid, 2,3,5-trichlorophenyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19Cl3O4
InChI InChI=1S/C16H19Cl3O4/c1-2-8-22-14(20)6-4-3-5-7-15(21)23-13-10-11(17)9-12(18)16(13)19/h9-10H,2-8H2,1H3
InChIKey XTCDXKNGIGIZOG-UHFFFAOYSA-N
Molecular Weight 381.683 g/mol
SMILES C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OCCC)=O
SPLASH splash10-0006-9600000000-8063631d2810469ba0ab
Source of Spectrum TIPS-2022-451-0
Wiley ID 1821968