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6-methyl-3-phenylisoxazolo[5,4-d]pyrimidin-4(5H)-one
SpectraBase Compound ID CBCAREQI64M
InChI InChI=1S/C12H9N3O2/c1-7-13-11(16)9-10(15-17-12(9)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChIKey NJUJFGOPBZSQAH-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C12H9N3O2
Exact Mass 227.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGIyD1mONhH
Name 6-methyl-3-phenylisoxazolo[5,4-d]pyrimidin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2
InChI InChI=1S/C12H9N3O2/c1-7-13-11(16)9-10(15-17-12(9)14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChIKey NJUJFGOPBZSQAH-UHFFFAOYSA-N
Instrument Name VG AutoSpec 6F
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290061108
Molecular Weight 227.223 g/mol
SMILES N1C(=Nc2onc(c2C1=O)-c1ccccc1)C
SPLASH splash10-002f-2950000000-6ee52bfdf0e8efb605cf
Source of Spectrum RCM-6-667-1c
Wiley ID 1835551