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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-chloro-
SpectraBase Compound ID 43yhkOBHHKX
InChI InChI=1S/C17H16Cl2N2O4/c18-10-2-4-14(12(8-10)16(22)23)20-6-1-7-21-15-5-3-11(19)9-13(15)17(24)25/h2-5,8-9,20-21H,1,6-7H2,(H,22,23)(H,24,25)
InChIKey MEXNSHNWFDPDCS-UHFFFAOYSA-N
Mol Weight 383.23 g/mol
Molecular Formula C17H16Cl2N2O4
Exact Mass 382.048712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bJPv7Mqrbn
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-chloro-
Alternate Name(s) 2-{[3-(2-carboxy-4-chloroanilino)propyl]amino}-5-chlorobenzoic acid 5,5'-Dichloro-2,2'-(propane-1,3-diyldiimino)bis(benzaldehyde) 5,5'-Dichloro-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid)
CAS Registry Number 108053-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Cl2N2O4
InChI InChI=1S/C17H16Cl2N2O4/c18-10-2-4-14(12(8-10)16(22)23)20-6-1-7-21-15-5-3-11(19)9-13(15)17(24)25/h2-5,8-9,20-21H,1,6-7H2,(H,22,23)(H,24,25)
InChIKey MEXNSHNWFDPDCS-UHFFFAOYSA-N
Molecular Weight 383.231 g/mol
SMILES OC(c1c(ccc(c1)Cl)NCCCNc1c(C(=O)O)cc(cc1)Cl)=O
SPLASH splash10-014i-0900000000-63540a0fcc3b57df2f19
Source of Spectrum B-39-1240-5
Wiley ID 1360393