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3-Isoxazolin-5-one, 2-methyl-3-phenyl-4-(phenylazo)-
SpectraBase Compound ID 9TJZ8V7Cygq
InChI InChI=1S/C16H13N3O2/c1-19-15(12-8-4-2-5-9-12)14(16(20)21-19)18-17-13-10-6-3-7-11-13/h2-11H,1H3/b18-17+
InChIKey BMOKRNOJFRCSAM-ISLYRVAYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0cUimynU1I
Name 3-Isoxazolin-5-one, 2-methyl-3-phenyl-4-(phenylazo)-
Alternate Name(s) 5(2H)-Isoxazolone, 2-methyl-3-phenyl-4-(phenylazo)- 2-Methyl-3-phenyl-4-phenylazoisoxazol-5-one 2-Methyl-3-phenyl-4-[(E)-phenyldiazenyl]-5(2H)-isoxazolone
CAS Registry Number 4550-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-19-15(12-8-4-2-5-9-12)14(16(20)21-19)18-17-13-10-6-3-7-11-13/h2-11H,1H3/b18-17+
InChIKey BMOKRNOJFRCSAM-ISLYRVAYSA-N
Molecular Weight 279.299 g/mol
SMILES C1(=C(N(C)OC1=O)c1ccccc1)\N=N\c1ccccc1
SPLASH splash10-016r-4910000000-4208c50001d9b97cd845
Source of Spectrum Y-22-1532-2
Wiley ID 1283012