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2-(2-cyanoethyl)-3,3-dimethyl-4-isoxazolidinecarbonitrile
SpectraBase Compound ID BHCOBGVkBq4
InChI InChI=1S/C9H13N3O/c1-9(2)8(6-11)7-13-12(9)5-3-4-10/h8H,3,5,7H2,1-2H3
InChIKey SVYOXGGTMYRMLN-UHFFFAOYSA-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 9vuvlscqbNx
Name 2-(2-cyanoethyl)-3,3-dimethyl-4-isoxazolidinecarbonitrile
Alternate Name(s) 2-(2-cyanoethyl)-3,3-dimethyl-1,2-oxazolidine-4-carbonitrile
CAS Registry Number 89902-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O
InChI InChI=1S/C9H13N3O/c1-9(2)8(6-11)7-13-12(9)5-3-4-10/h8H,3,5,7H2,1-2H3
InChIKey SVYOXGGTMYRMLN-UHFFFAOYSA-N
Molecular Weight 179.223 g/mol
SMILES C1(N(OCC1C#N)CCC#N)(C)C
SPLASH splash10-01p9-0900000000-f807e26cc535763584df
Source of Spectrum KC-1984-54-0
Wiley ID 1175126