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3-methyl-4H-1,2-oxazol-5-one
SpectraBase Compound ID 6gfJ8bTHaei
InChI InChI=1S/C4H5NO2/c1-3-2-4(6)7-5-3/h2H2,1H3
InChIKey PYUQCOIVVOLGJK-UHFFFAOYSA-N
Mol Weight 99.09 g/mol
Molecular Formula C4H5NO2
Exact Mass 99.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cdF4VyCE3T
Name 3-Methyl-5(4H)-isoxazolone
Alternate Name(s) 3-Methyl-2-isoxazolin-5-one 3-Methyl-4H-1,2-oxazol-5-one 3-Methyl-4H-isoxazol-5-one 3-Methyl-isoxazol-5(4H)-one 3-Methylisoxazol-5-one
CAS Registry Number 1517-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NO2
InChI InChI=1S/C4H5NO2/c1-3-2-4(6)7-5-3/h2H2,1H3
InChIKey PYUQCOIVVOLGJK-UHFFFAOYSA-N
Molecular Weight 99.089 g/mol
SMILES CC1=NOC(=O)C1
SPLASH splash10-0006-9000000000-66cf3e214e30b2c85d35
Source of Spectrum O-12-67-1
Wiley ID 1119064