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2-Isoxazolidinepropanenitrile, 5-cyano-3-ethyl-, cis-
SpectraBase Compound ID 9LKMH9LQgsb
InChI InChI=1S/C9H13N3O/c1-2-8-6-9(7-11)13-12(8)5-3-4-10/h8-9H,2-3,5-6H2,1H3/t8-,9-/m1/s1
InChIKey PSAWHUKLYYLSPQ-RKDXNWHRSA-N
Mol Weight 179.22 g/mol
Molecular Formula C9H13N3O
Exact Mass 179.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvF4wNe4ccq
Name 2-Isoxazolidinepropanenitrile, 5-cyano-3-ethyl-, cis-
CAS Registry Number 89903-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O
InChI InChI=1S/C9H13N3O/c1-2-8-6-9(7-11)13-12(8)5-3-4-10/h8-9H,2-3,5-6H2,1H3/t8-,9-/m1/s1
InChIKey PSAWHUKLYYLSPQ-RKDXNWHRSA-N
Molecular Weight 179.223 g/mol
SMILES [C@@]1(ON([C@@](C1)(CC)[H])CCC#N)(C#N)[H]
SPLASH splash10-0fbi-4900000000-dab185e3fbafbd1ec4ef
Source of Spectrum KC-1984-54-0
Synonyms (3R,5R)-2-(2-cyanoethyl)-3-ethyl-5-isoxazolidinecarbonitrile 2-2(cyanoethyl)-3-ethyl-4- and -5-cyanoisoxazolidine
Wiley ID 1175125