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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-bromo-
SpectraBase Compound ID 4iCwYgC9pi5
InChI InChI=1S/C17H16Br2N2O4/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 KUIMLHSNACRBNI-UHFFFAOYSA-N
Mol Weight 472.13 g/mol
Molecular Formula C17H16Br2N2O4
Exact Mass 469.947683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gX27j5Ko8w
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-bromo-
CAS Registry Number 59400-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Br2N2O4
InChI InChI=1S/C17H16Br2N2O4/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 KUIMLHSNACRBNI-UHFFFAOYSA-N
Molecular Weight 472.133 g/mol
SMILES OC(c1c(ccc(c1)Br)NCCCNc1c(C(=O)O)cc(cc1)Br)=O
SPLASH splash10-08fr-4390100000-28e4af7b86f3e7897c89
Source of Spectrum B-30-2504-0
Synonyms 5,5'-Dibromo-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid) 5-Bromo-2-{[3-(4-bromo-2-carboxyanilino)propyl]amino}benzoic acid
Wiley ID 1392715