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4-Isoxazolecarbonitrile, 2,3-dihydro-2,5-dimethyl-3-phenyl-
SpectraBase Compound ID 87aLRaPAeXa
InChI InChI=1S/C12H12N2O/c1-9-11(8-13)12(14(2)15-9)10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKey OTKGMANLTILWKW-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rM0O0NWQ2b
Name 4-Isoxazolecarbonitrile, 2,3-dihydro-2,5-dimethyl-3-phenyl-
CAS Registry Number 108817-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-9-11(8-13)12(14(2)15-9)10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKey OTKGMANLTILWKW-UHFFFAOYSA-N
Molecular Weight 200.241 g/mol
SMILES C1(=C(ON(C1c1ccccc1)C)C)C#N
SPLASH splash10-0kmi-0920000000-2b78766dc1bf57f629ed
Source of Spectrum F-43-3244-10
Synonyms 2,5-Dimethyl-3-phenyl-2,3-dihydro-4-isoxazolecarbonitrile 2,5-Dimethyl-3-phenylisoxazoline-4-carbonitrile 2,5-Dimethyl-3-phenyl-3H-isoxazole-4-carbonitrile 2,5-Dimethyl-3-phenyl-3H-1,2-oxazole-4-carbonitrile
Wiley ID 1197889