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Benzoic acid, 4-[[2,3-dihydro-2,2-dimethyl-1-(1-methylethyl)-3-oxo-1H-pyrrol-4-yl]azo]-
SpectraBase Compound ID 9KHJzNmlK50
InChI InChI=1S/C16H19N3O3/c1-10(2)19-9-13(14(20)16(19,3)4)18-17-12-7-5-11(6-8-12)15(21)22/h5-10H,1-4H3,(H,21,22)/b18-17+
InChIKey NKYCCOYNEGKFFO-ISLYRVAYSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg3cHTm6sJf
Name Benzoic acid, 4-[[2,3-dihydro-2,2-dimethyl-1-(1-methylethyl)-3-oxo-1H-pyrrol-4-yl]azo]-
CAS Registry Number 121725-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c1-10(2)19-9-13(14(20)16(19,3)4)18-17-12-7-5-11(6-8-12)15(21)22/h5-10H,1-4H3,(H,21,22)/b18-17+
InChIKey NKYCCOYNEGKFFO-ISLYRVAYSA-N
Molecular Weight 301.346 g/mol
SMILES OC(c1ccc(\N=N\C=2C(C(C)(C)N(C2)C(C)C)=O)cc1)=O
SPLASH splash10-00dr-0911000000-cb101a0e88b8671349f3
Source of Spectrum KC-1989-422-5
Synonyms 4-p-carboxyphenylazo-1-isopropyl-2,2-dimethyl-1H-pyrrol-3(2H)-one 4-[(E)-(1-isopropyl-5,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)diazenyl]benzoic acid
Wiley ID 1303802