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2,6-Pyridinediol, 3-[(2,4-dihydroxyphenyl)azo]-, 4-benzoate
SpectraBase Compound ID 9BIhPEorwoG
InChI InChI=1S/C18H13N3O5/c22-15-10-12(26-18(25)11-4-2-1-3-5-11)6-7-13(15)20-21-14-8-9-16(23)19-17(14)24/h1-10,22H,(H2,19,23,24)/b21-20+
InChIKey DWKRICFOYQDOMW-QZQOTICOSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTrqwBeZeYq
Name 2,6-Pyridinediol, 3-[(2,4-dihydroxyphenyl)azo]-, 4-benzoate
Alternate Name(s) 4-[(E)-(2,6-Dihydroxy-3-pyridinyl)diazenyl]-3-hydroxyphenyl benzoate
CAS Registry Number 22280-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O5
InChI InChI=1S/C18H13N3O5/c22-15-10-12(26-18(25)11-4-2-1-3-5-11)6-7-13(15)20-21-14-8-9-16(23)19-17(14)24/h1-10,22H,(H2,19,23,24)/b21-20+
InChIKey DWKRICFOYQDOMW-QZQOTICOSA-N
Molecular Weight 351.318 g/mol
SMILES OC1=C(\N=N\c2c(cc(cc2)OC(=O)c2ccccc2)O)C=CC(=O)N1
SPLASH splash10-0a4i-9802000000-e53039f7d8a93b394785
Source of Spectrum AD-0-5464-0
Wiley ID 52057