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Methyl 4-[(E)-1-azepanyldiazenyl]benzoate

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

Methyl 4-[(E)-1-azepanyldiazenyl]benzoate
SpectraBase Compound ID E0rzh04Dtwp
InChI InChI=1S/C14H19N3O2/c1-19-14(18)12-6-8-13(9-7-12)15-16-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3/b16-15+
InChIKey QJIFPFQVWMYNQT-FOCLMDBBSA-N
Mol Weight 261.32 g/mol
Molecular Formula C14H19N3O2
Exact Mass 261.147727 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kb5MKdIEtWU
Name benzoic acid, 4-[(E)-(hexahydro-1H-azepin-1-yl)azo]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.147726862 u
Formula C14H19N3O2
InChI InChI=1S/C14H19N3O2/c1-19-14(18)12-6-8-13(9-7-12)15-16-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3/b16-15+
InChIKey QJIFPFQVWMYNQT-FOCLMDBBSA-N
Molecular Weight 261.325 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2421
Solvent DMSO-d6
Source Vendor ID: ZI/8129970; Lab Info: KAJ; Lab Number: KAJ-mk00262