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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-methyl-
SpectraBase Compound ID 1nJbSFYNAKX
InChI InChI=1S/C19H22N2O4/c1-12-4-6-16(14(10-12)18(22)23)20-8-3-9-21-17-7-5-13(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 UHOROWKIBJGIED-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJDDBU5VAdp
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-methyl-
CAS Registry Number 108065-79-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-12-4-6-16(14(10-12)18(22)23)20-8-3-9-21-17-7-5-13(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 UHOROWKIBJGIED-UHFFFAOYSA-N
Molecular Weight 342.395 g/mol
SMILES OC(c1c(ccc(c1)C)NCCCNc1c(C(=O)O)cc(cc1)C)=O
SPLASH splash10-0005-0900000000-0241dcaf283c3bd276c2
Source of Spectrum B-39-1238-5
Synonyms 2-{[3-(2-carboxy-4-methylanilino)propyl]amino}-5-methylbenzoic acid 5,5-Dimethyl-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid)
Wiley ID 1336561