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3-[(E)-1-Azepanyldiazenyl]benzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[(E)-1-Azepanyldiazenyl]benzoic acid
SpectraBase Compound ID LtmdyCLXki5
InChI InChI=1S/C13H17N3O2/c17-13(18)11-6-5-7-12(10-11)14-15-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,17,18)/b15-14+
InChIKey OJPBMUUZGYZDMW-CCEZHUSRSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9m7VOj7E5Re
Name benzoic acid, 3-[(E)-(hexahydro-1H-azepin-1-yl)azo]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.132076797 u
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c17-13(18)11-6-5-7-12(10-11)14-15-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,17,18)/b15-14+
InChIKey OJPBMUUZGYZDMW-CCEZHUSRSA-N
Molecular Weight 247.298 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1712
Solvent DMSO-d6
Source Vendor ID: ZI/8128180; Lab Info: KAJ; Lab Number: KAJ-mk00275