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2-Isoxazolidinepropanenitrile, 4-cyano-3-(4-methoxyphenyl)-, cis-
SpectraBase Compound ID HyJcEUiTk6W
InChI InChI=1S/C14H15N3O2/c1-18-13-5-3-11(4-6-13)14-12(9-16)10-19-17(14)8-2-7-15/h3-6,12,14H,2,8,10H2,1H3/t12-,14-/m1/s1
InChIKey NADMOWUNLVGOMF-TZMCWYRMSA-N
Mol Weight 257.29 g/mol
Molecular Formula C14H15N3O2
Exact Mass 257.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7NDMz9CLHc
Name 2-Isoxazolidinepropanenitrile, 4-cyano-3-(4-methoxyphenyl)-, cis-
CAS Registry Number 89902-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O2
InChI InChI=1S/C14H15N3O2/c1-18-13-5-3-11(4-6-13)14-12(9-16)10-19-17(14)8-2-7-15/h3-6,12,14H,2,8,10H2,1H3/t12-,14-/m1/s1
InChIKey NADMOWUNLVGOMF-TZMCWYRMSA-N
Molecular Weight 257.293 g/mol
SMILES C1ON([C@@]([C@@]1(C#N)[H])(c1ccc(cc1)OC)[H])CCC#N
SPLASH splash10-00di-0930000000-676292b23a7aecd309ea
Source of Spectrum KC-1984-53-0
Synonyms (3S,4R)-2-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-isoxazolidinecarbonitrile 2-(2-Cyanoethyl)-3-(p-methoxyphenyl)-4- and 5-cyanoisoxazolidine
Wiley ID 1260794