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2,4-Heptadienenitrile, 2-ethyl-6,6-dimethyl-3-(4-nitrophenyl)-, (E,E)-
SpectraBase Compound ID Hyr9Eysfhjy
InChI InChI=1S/C17H20N2O2/c1-5-13(12-18)16(10-11-17(2,3)4)14-6-8-15(9-7-14)19(20)21/h6-11H,5H2,1-4H3/b11-10+,16-13+
InChIKey USHZBHYSXWRQNZ-QDTXCPDVSA-N
Mol Weight 284.36 g/mol
Molecular Formula C17H20N2O2
Exact Mass 284.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA3yX5rDucm
Name 2,4-Heptadienenitrile, 2-ethyl-6,6-dimethyl-3-(4-nitrophenyl)-, (E,E)-
CAS Registry Number 86984-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O2
InChI InChI=1S/C17H20N2O2/c1-5-13(12-18)16(10-11-17(2,3)4)14-6-8-15(9-7-14)19(20)21/h6-11H,5H2,1-4H3/b11-10+,16-13+
InChIKey USHZBHYSXWRQNZ-QDTXCPDVSA-N
Molecular Weight 284.359 g/mol
SMILES c1(N(=O)=O)ccc(\C(\C=C\C(C)(C)C)=C\(C#N)CC)cc1
SPLASH splash10-00lr-1190000000-3845db192f05384894a1
Source of Spectrum B-36-543-0
Synonyms (2E,4E)-2-ethyl-6,6-dimethyl-3-(4-nitrophenyl)-2,4-heptadienenitrile (2E,4E)-2-ethyl-6,6-dimethyl-3-p-nitrophenylhepta-2,4-dienenitrile
Wiley ID 1288093