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Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-fluoro-
SpectraBase Compound ID GA0UJTnSBu3
InChI InChI=1S/C17H16F2N2O4/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 YIPJCNLGRLCLBT-UHFFFAOYSA-N
Mol Weight 350.32 g/mol
Molecular Formula C17H16F2N2O4
Exact Mass 350.107813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Q73mxs2qDP
Name Benzoic acid, 2,2'-(1,3-propanediyldiimino)bis[5-fluoro-
Alternate Name(s) 2-{[3-(2-carboxy-4-fluoroanilino)propyl]amino}-5-fluorobenzoic acid 5,5'-Difluoro-2,2'-(propane-1,3-diyldiimino)bis(benzoic acid)
CAS Registry Number 108053-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F2N2O4
InChI InChI=1S/C17H16F2N2O4/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 YIPJCNLGRLCLBT-UHFFFAOYSA-N
Molecular Weight 350.322 g/mol
SMILES OC(c1c(ccc(c1)F)NCCCNc1c(C(=O)O)cc(cc1)F)=O
SPLASH splash10-0k9j-2900000000-f8ce2a999c2d14dd5169
Source of Spectrum B-39-1241-5
Wiley ID 1341784