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3-Phenyl-5(4H)-isoxazolone
SpectraBase Compound ID JbdPlb9iaxe
InChI InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpGvifySGn7
Name 5(4H)-Isoxazolone, 3-phenyl-
Alternate Name(s) 2-Isoxazolin-5-one, 3-phenyl- 3-Phenyl-.delta.2-5-isoxazolinone 3-Phenyl-2-isoxazolin-5-one 3-Phenyl-4H-1,2-oxazol-5-one 3-Phenyl-4H-isoxazol-5-one 3-Phenyl-5(4H)-isoxazolone 3-Phenyl-5-isoxazolone 4,5-Dihydro-3-phenylisoxazol-5-one EINECS 214-064-4 NSC 33592 NSC 54827 NSC 60969
CAS Registry Number 1076-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
SMILES C1(=NOC(C1)=O)c1ccccc1
SPLASH splash10-0w29-0900000000-84ddf2427fc65b13cc67
Source of Spectrum SK-23-2253-2
Wiley ID 865620