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3-(4-Chlorophenyl)-5(4H)-isoxazolone
SpectraBase Compound ID 9GuSydMUFIF
InChI InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKey NPFADJVBJNWTOJ-UHFFFAOYSA-N
Mol Weight 195.6 g/mol
Molecular Formula C9H6ClNO2
Exact Mass 195.008706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxbeWf8sZ9O
Name 3-(4-Chlorophenyl)-5(4H)-isoxazolone
Alternate Name(s) 3-(4-Chlorophenyl)-2-isoxazolin-5-one 3-(4-Chlorophenyl)-4H-1,2-oxazol-5-one 3-(4-Chlorophenyl)-4H-isoxazol-5-one 3-(p-Chlorophenyl)-4,5-dihydro-5-oxoisoxazole Isoxazol-5(4H)-one, 3-(4-chlorophenyl)-
CAS Registry Number 25755-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClNO2
InChI InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKey NPFADJVBJNWTOJ-UHFFFAOYSA-N
Molecular Weight 195.605 g/mol
SMILES c1c(Cl)ccc(C2=NOC(=O)C2)c1
SPLASH splash10-000i-0900000000-4b047f8ce941ad7e4e59
Source of Spectrum B-52-1031-0
Wiley ID 746892