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2-[2-ethylidenehydrazino]-5-nitro-benzoic acid
SpectraBase Compound ID LyQfpTYgC4O
InChI InChI=1S/C9H9N3O4/c1-2-10-11-8-4-3-6(12(15)16)5-7(8)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKey HGJMGFKUMBHZRH-UHFFFAOYSA-N
Mol Weight 223.19 g/mol
Molecular Formula C9H9N3O4
Exact Mass 223.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gaBhgw1jQ
Name 2-[2-ethylidenehydrazino]-5-nitro-benzoic acid
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.059305778 u
Formula C9H9N3O4
InChI InChI=1S/C9H9N3O4/c1-2-10-11-8-4-3-6(12(15)16)5-7(8)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKey HGJMGFKUMBHZRH-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801671
Quality 313
Reported Formula C9H9N3O4
SMILES N(C=1C=CC(=CC1C(=O)O)[N+]([O-])=O)N=CC
SPLASH splash10-006x-9330000000-47fef947a9b38a1ca5f9
Sample Comments Mixture of E/Z
Source of Spectrum QE-24-SM10-4c (DOI: 10.1002/chem.201801671)
Wiley ID 1901593