Debug Info

object
{15}
_id
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kC0sD1c2QV
spectrumID
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kC0sD1c2QV
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specType
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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4-(4-chlorophenyl)-3-phenyl-7-thioxo-7,8-dihydroisoxazolo[4',5':5,6] pyrido[2,3-d]pyrimidin-5(6H)-one
SpectraBase Compound ID 7RTI85QkjFc
InChI InChI=1S/C20H11ClN4O2S/c21-12-8-6-10(7-9-12)13-14-16(11-4-2-1-3-5-11)25-27-19(14)22-17-15(13)18(26)24-20(28)23-17/h1-9H,(H2,22,23,24,26,28)
InChIKey RSAHVGDPLMVOAM-UHFFFAOYSA-N
Mol Weight 406.85 g/mol
Molecular Formula C20H11ClN4O2S
Exact Mass 406.029124 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kC0sD1c2QV
Name 4-(4-chlorophenyl)-3-phenyl-7-thioxo-7,8-dihydroisoxazolo[4',5':5,6] pyrido[2,3-d]pyrimidin-5(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11ClN4O2S
InChI InChI=1S/C20H11ClN4O2S/c21-12-8-6-10(7-9-12)13-14-16(11-4-2-1-3-5-11)25-27-19(14)22-17-15(13)18(26)24-20(28)23-17/h1-9H,(H2,22,23,24,26,28)
InChIKey RSAHVGDPLMVOAM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX or HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2417
Molecular Weight 406.847 g/mol
SMILES N1C(NC(c2c1nc1c(c2-c2ccc(Cl)cc2)c(no1)-c1ccccc1)=O)=S
SPLASH splash10-0f6x-8490400000-36b53bb4be25f61f3b2a
Source of Spectrum Y-53-562-5
Wiley ID 1877671
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