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2-Isoxazolidinepropanenitrile, 4-cyano-3-(2-thienyl)-, cis-
SpectraBase Compound ID 5r9wH22X9bP
InChI InChI=1S/C11H11N3OS/c12-4-2-5-14-11(9(7-13)8-15-14)10-3-1-6-16-10/h1,3,6,9,11H,2,5,8H2/t9-,11+/m1/s1
InChIKey WEZFKGUHQFWUQY-KOLCDFICSA-N
Mol Weight 233.29 g/mol
Molecular Formula C11H11N3OS
Exact Mass 233.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzyQal4LP9S
Name 2-Isoxazolidinepropanenitrile, 4-cyano-3-(2-thienyl)-, cis-
CAS Registry Number 89902-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3OS
InChI InChI=1S/C11H11N3OS/c12-4-2-5-14-11(9(7-13)8-15-14)10-3-1-6-16-10/h1,3,6,9,11H,2,5,8H2/t9-,11+/m1/s1
InChIKey WEZFKGUHQFWUQY-KOLCDFICSA-N
Molecular Weight 233.289 g/mol
SMILES [C@]1(N(OC[C@]1(C#N)[H])CCC#N)(c1sccc1)[H]
SPLASH splash10-0002-0910000000-10d58cfb21dc18bea11f
Source of Spectrum KC-1984-54-0
Synonyms (3S,4R)-2-(2-cyanoethyl)-3-(2-thienyl)-4-isoxazolidinecarbonitrile 2-(2-Cyanoethyl)-3-(2-thienyl)-4- and 5-cyanoisoxazolidine
Wiley ID 1234702