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4-[3-(4-Methylphenyl)isoxazol-5-yl]methylenepyrazolin-3-one
SpectraBase Compound ID ARb0OTE1Fdj
InChI InChI=1S/C14H13N3O2/c1-9-2-4-10(5-3-9)13-7-12(19-17-13)6-11-8-15-16-14(11)18/h2-7,15H,8H2,1H3,(H,16,18)/b11-6-
InChIKey LEBUQHVIZHBYDB-WDZFZDKYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pcNcoK4MzL
Name 4-[3-(4-Methylphenyl)isoxazol-5-yl]methylenepyrazolin-3-one
Alternate Name(s) (4Z)-4-{[3-(4-methylphenyl)-5-isoxazolyl]methylene}-3-pyrazolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-9-2-4-10(5-3-9)13-7-12(19-17-13)6-11-8-15-16-14(11)18/h2-7,15H,8H2,1H3,(H,16,18)/b11-6-
InChIKey LEBUQHVIZHBYDB-WDZFZDKYSA-N
Molecular Weight 255.277 g/mol
SMILES N1NC\C(C1=O)=C\c1cc(-c2ccc(cc2)C)no1
SPLASH splash10-0a4i-0950000000-12329bcb544975a1eec2
Source of Spectrum SO-0-279-10
Wiley ID 864142