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2-(5-Methoxy-2-nitrophenyl)-3-(4-nitrophenyl)propionitrile
SpectraBase Compound ID EAdC8yn1iOJ
InChI InChI=1S/C16H13N3O5/c1-24-14-6-7-16(19(22)23)15(9-14)12(10-17)8-11-2-4-13(5-3-11)18(20)21/h2-7,9,12H,8H2,1H3
InChIKey IMLASHRGRGBCJN-UHFFFAOYSA-N
Mol Weight 327.3 g/mol
Molecular Formula C16H13N3O5
Exact Mass 327.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4NzjqbGmWd
Name 2-(5-Methoxy-2-nitrophenyl)-3-(4-nitrophenyl)propionitrile
Alternate Name(s) 2-(5-Methoxy-2-nitrophenyl)-3-(4-nitrophenyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O5
InChI InChI=1S/C16H13N3O5/c1-24-14-6-7-16(19(22)23)15(9-14)12(10-17)8-11-2-4-13(5-3-11)18(20)21/h2-7,9,12H,8H2,1H3
InChIKey IMLASHRGRGBCJN-UHFFFAOYSA-N
Molecular Weight 327.296 g/mol
SMILES c1(N(=O)=O)c(C(C#N)Cc2ccc(N(=O)=O)cc2)cc(cc1)OC
SPLASH splash10-052r-0900000000-4e888cc26c9a3f28d257
Source of Spectrum H1-35-359-2
Wiley ID 754946