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1,2,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, [1R-(1R*,2S*,3R*)]-
SpectraBase Compound ID KPHQQrLYYY9
InChI InChI=1S/C19H18N4O4/c24-10-14(25)17(26)18(27)15-16-19(21-13-9-5-4-8-12(13)20-16)23(22-15)11-6-2-1-3-7-11/h1-9,14,17-18,24-27H,10H2
InChIKey LABBLXXRSWREEJ-UHFFFAOYSA-N
Mol Weight 366.38 g/mol
Molecular Formula C19H18N4O4
Exact Mass 366.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TXaMbHZJ8o
Name 1,2,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, [1R-(1R*,2S*,3R*)]-
CAS Registry Number 31504-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4O4
InChI InChI=1S/C19H18N4O4/c24-10-14(25)17(26)18(27)15-16-19(21-13-9-5-4-8-12(13)20-16)23(22-15)11-6-2-1-3-7-11/h1-9,14,17-18,24-27H,10H2
InChIKey LABBLXXRSWREEJ-UHFFFAOYSA-N
Molecular Weight 366.377 g/mol
SMILES OC(C(C(CO)O)O)c1c2c(nc3ccccc3n2)[n](n1)-c1ccccc1
SPLASH splash10-004i-1090000000-4b67eeeacb327f90d0dc
Source of Spectrum O3-0-1535-0
Synonyms 1-(1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol 1-(1-phenyl-3-pyrazolo[4,3-b]quinoxalinyl)butane-1,2,3,4-tetrol 1-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol
Wiley ID 1351847