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3-Phenyl-2-isoxazoline-5-carbonitrile
SpectraBase Compound ID LrsZ3Ase2QG
InChI InChI=1S/C10H8N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6H2
InChIKey JJLQMPQQWPQNEH-UHFFFAOYSA-N
Mol Weight 172.19 g/mol
Molecular Formula C10H8N2O
Exact Mass 172.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uks5Ptgw9a
Name 3-Phenyl-2-isoxazoline-5-carbonitrile
CAS Registry Number 1011-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O
InChI InChI=1S/C10H8N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6H2
InChIKey JJLQMPQQWPQNEH-UHFFFAOYSA-N
Molecular Weight 172.187 g/mol
SMILES C1(=NOC(C1)C#N)c1ccccc1
SPLASH splash10-006t-0900000000-ee416f6a071ba1b801e4
Source of Spectrum Y1-36-243-6
Synonyms 3-Phenyl-4,5-dihydro-1,2-oxazole-5-carbonitrile 3-Phenyl-4,5-dihydro-5-isoxazolecarbonitrile 3-Phenyl-4,5-dihydroisoxazole-5-carbonitrile 5-Cyano-4,5-dihydro-3-phenylisoxazole
Wiley ID 1526965