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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-methoxy-
SpectraBase Compound ID UTwu14eP1y
InChI InChI=1S/C19H22N2O6/c1-26-12-4-6-16(14(10-12)18(22)23)20-8-3-9-21-17-7-5-13(27-2)11-15(17)19(24)25/h4-7,10-11,20-21H,3,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey KCFGWHIKJKWHJP-UHFFFAOYSA-N
Mol Weight 374.39 g/mol
Molecular Formula C19H22N2O6
Exact Mass 374.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p72C9GkwR4
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-methoxy-
CAS Registry Number 108053-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O6
InChI InChI=1S/C19H22N2O6/c1-26-12-4-6-16(14(10-12)18(22)23)20-8-3-9-21-17-7-5-13(27-2)11-15(17)19(24)25/h4-7,10-11,20-21H,3,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey KCFGWHIKJKWHJP-UHFFFAOYSA-N
Molecular Weight 374.393 g/mol
SMILES OC(c1c(ccc(c1)OC)NCCCNc1c(C(=O)O)cc(cc1)OC)=O
SPLASH splash10-03di-2911000000-f7c8261150405cf38d83
Source of Spectrum B-39-1239-5
Synonyms 2-{[3-(2-carboxy-4-methoxyanilino)propyl]amino}-5-methoxybenzoic acid 5,5'-Dimethoxy-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid)
Wiley ID 1356540