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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[3,6-dichloro-
SpectraBase Compound ID 7lbeyjt1cqg
InChI InChI=1S/C17H14Cl4N2O4/c18-8-2-4-10(20)14(12(8)16(24)25)22-6-1-7-23-15-11(21)5-3-9(19)13(15)17(26)27/h2-5,22-23H,1,6-7H2,(H,24,25)(H,26,27)
InChIKey KQEMIBGMYFDRCH-UHFFFAOYSA-N
Mol Weight 452.1 g/mol
Molecular Formula C17H14Cl4N2O4
Exact Mass 449.970768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD4yEM7D7LG
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[3,6-dichloro-
Alternate Name(s) 2-{[3-(2-carboxy-3,6-dichloroanilino)propyl]amino}-3,6-dichlorobenzoic acid 3,3',6,6'-Tetrachloro-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid)
CAS Registry Number 108053-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Cl4N2O4
InChI InChI=1S/C17H14Cl4N2O4/c18-8-2-4-10(20)14(12(8)16(24)25)22-6-1-7-23-15-11(21)5-3-9(19)13(15)17(26)27/h2-5,22-23H,1,6-7H2,(H,24,25)(H,26,27)
InChIKey KQEMIBGMYFDRCH-UHFFFAOYSA-N
Molecular Weight 452.121 g/mol
SMILES N(c1c(C(=O)O)c(ccc1Cl)Cl)CCCNc1c(C(=O)O)c(ccc1Cl)Cl
SPLASH splash10-0i00-0960000000-ad009efcfe055588e78c
Source of Spectrum B-39-1242-5
Wiley ID 1387551