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3-[(E)-4-hexenyl]-1-nitrocyclohexene
SpectraBase Compound ID 5ZL4oeVV0mj
InChI InChI=1S/C12H19NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKey JOSJSSZZDQLVNF-NSCUHMNNSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHu6b1bVFp2
Name 3-[(E)-4-hexenyl]-1-nitrocyclohexene
CAS Registry Number 112683-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKey JOSJSSZZDQLVNF-NSCUHMNNSA-N
Molecular Weight 209.289 g/mol
SMILES C1(N(=O)=O)=CC(CCC\C=C\C)CCC1
SPLASH splash10-05oc-9500000000-bf41a04d96eff4916e20
Source of Spectrum J-53-1262-10
Synonyms 3-[(4E)-4-hexenyl]-1-nitro-1-cyclohexene
Wiley ID 1208199