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1,6-Heptadien-3-one, 6-nitro-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
SpectraBase Compound ID ILPURFi4u1h
InChI InChI=1S/C16H23NO3/c1-12-6-5-11-16(3,4)15(12)10-9-14(18)8-7-13(2)17(19)20/h9-10H,2,5-8,11H2,1,3-4H3/b10-9+
InChIKey PAPZIHCSSKRVBH-MDZDMXLPSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeVKJbMOPpY
Name 1,6-Heptadien-3-one, 6-nitro-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
CAS Registry Number 90059-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-12-6-5-11-16(3,4)15(12)10-9-14(18)8-7-13(2)17(19)20/h9-10H,2,5-8,11H2,1,3-4H3/b10-9+
InChIKey PAPZIHCSSKRVBH-MDZDMXLPSA-N
Molecular Weight 277.364 g/mol
SMILES C(N(=O)=O)(CCC(\C=C\C1=C(CCCC1(C)C)C)=O)=C
SPLASH splash10-03di-3390000000-4b2064ad51129483dd99
Source of Spectrum H-67-273-0
Synonyms (1E)-6-nitro-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,6-heptadien-3-one (E)-6-Nitro-1-(2',6',6'-trimethyl-1'-cyclohexenyl)-1,6-heptadien-3-one
Wiley ID 1281087