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SYN-2-PHENYL-3-(3-PYRIDYL)-ISOXAZOLIDINE-5-CARBONITRILE
SpectraBase Compound ID FPHS98F2IUe
InChI InChI=1S/C15H13N3O/c16-10-14-9-15(12-5-4-8-17-11-12)18(19-14)13-6-2-1-3-7-13/h1-8,11,14-15H,9H2/t14-,15+/m1/s1
InChIKey MFBSDBUSGOJEFW-CABCVRRESA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYAjCgC0Qpb
Name (syn)-2-Phenyl-3-(3'-pyridyl)-isoxazoldine-5-carbonitrile
Alternate Name(s) (3S,5R)-2-phenyl-3-(3-pyridinyl)-5-isoxazolidinecarbonitrile (3S,5R)-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine-5-carbonitrile
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Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c16-10-14-9-15(12-5-4-8-17-11-12)18(19-14)13-6-2-1-3-7-13/h1-8,11,14-15H,9H2/t14-,15+/m1/s1
InChIKey MFBSDBUSGOJEFW-CABCVRRESA-N
Molecular Weight 251.289 g/mol
SMILES [C@]1(N(O[C@](C1)(C#N)[H])c1ccccc1)(c1cnccc1)[H]
SPLASH splash10-003u-9510000000-e4552c9262f3393cd3e4
Source of Spectrum AJ-42-1052-5
Wiley ID 1568161