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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZIrbBfWke2
Name 3-[(E)-1-Azepanyldiazenyl]benzoic acid
Alternate Name(s) Benzoic acid, 3-(1-perhydroazepinylazo)-
CAS Registry Number 309272-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES OC(c1cc(\N=N\N2CCCCCC2)ccc1)=O
SPLASH splash10-00dj-9610000000-31359921741c291db8d7
Source of Spectrum AD-0-2532-0
Wiley ID 1428644