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3,4,4-Trimethyl-5(4H)-isoxazolone
SpectraBase Compound ID 53yt6hzcnjt
InChI InChI=1S/C6H9NO2/c1-4-6(2,3)5(8)9-7-4/h1-3H3
InChIKey WLXWANANAQCMMM-UHFFFAOYSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GE36nwoH5k
Name 3,4,4-Trimethyl-5(4H)-isoxazolone
CAS Registry Number 15731-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c1-4-6(2,3)5(8)9-7-4/h1-3H3
InChIKey WLXWANANAQCMMM-UHFFFAOYSA-N
Molecular Weight 127.143 g/mol
SMILES C1(ON=C(C1(C)C)C)=O
SPLASH splash10-0006-9000000000-8d6eba8d4d0aeeb038e4
Source of Spectrum O-12-67-1
Synonyms 3,4,4-trimethyl-1,2-oxazol-5-one 3,4,4-trimethyl-2-isoxazolin-5-one 3,4,4-trimethyl-5-isoxazolone 3,4,4-Trimethyl-isoxazol-5(4H)-one 3,4,4-trimethylisoxazol-5-one
Wiley ID 1130604