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3-[4-(2-cyanoethoxy)-3-nitrophenoxy]propanenitrile
SpectraBase Compound ID FI4lf9ORpIN
InChI InChI=1S/C12H11N3O4/c13-5-1-7-18-10-3-4-12(19-8-2-6-14)11(9-10)15(16)17/h3-4,9H,1-2,7-8H2
InChIKey YEIGETWBCXBZFH-UHFFFAOYSA-N
Mol Weight 261.24 g/mol
Molecular Formula C12H11N3O4
Exact Mass 261.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CahOR8BohfN
Name 3-[4-(2-cyanoethoxy)-3-nitrophenoxy]propanenitrile
Alternate Name(s) 3-[4-(2-cyanoethoxy)-3-nitro-phenoxy]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O4
InChI InChI=1S/C12H11N3O4/c13-5-1-7-18-10-3-4-12(19-8-2-6-14)11(9-10)15(16)17/h3-4,9H,1-2,7-8H2
InChIKey YEIGETWBCXBZFH-UHFFFAOYSA-N
Molecular Weight 261.237 g/mol
SMILES c1c(c(N(=O)=O)cc(c1)OCCC#N)OCCC#N
SPLASH splash10-0udi-9320000000-fae253d3be5aa88e9cf1
Source of Spectrum IY-2-5126-4
Wiley ID 1659247