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4-(4-Heptyloxy-benzoylamino)-benzoic acid

View entire compound with spectra: 1 NMR

4-(4-Heptyloxy-benzoylamino)-benzoic acid
SpectraBase Compound ID DsgRjeq0abM
InChI InChI=1S/C21H25NO4/c1-2-3-4-5-6-15-26-19-13-9-16(10-14-19)20(23)22-18-11-7-17(8-12-18)21(24)25/h7-14H,2-6,15H2,1H3,(H,22,23)(H,24,25)
InChIKey JJBHTHPQXMJETJ-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwASo7iuQUb
Name 4-(4-Heptyloxy-benzoylamino)-benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-2-3-4-5-6-15-26-19-13-9-16(10-14-19)20(23)22-18-11-7-17(8-12-18)21(24)25/h7-14H,2-6,15H2,1H3,(H,22,23)(H,24,25)
InChIKey JJBHTHPQXMJETJ-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C(NC=1C=CC(C(=O)O)=CC1)(C1=CC=C(C=C1)OCCCCCCC)=O