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3-Buten-2-one, 4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-, (E)-
SpectraBase Compound ID 5F6ZFnUm6lb
InChI InChI=1S/C18H28O/c1-13(2)7-10-16-11-8-14(3)17(18(16,5)6)12-9-15(4)19/h7,9,12,16H,8,10-11H2,1-6H3/b12-9+
InChIKey VXFRIZWKQBPNNS-FMIVXFBMSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOw4yMCE2vx
Name 3-Buten-2-one, 4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-, (E)-
CAS Registry Number 92510-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-13(2)7-10-16-11-8-14(3)17(18(16,5)6)12-9-15(4)19/h7,9,12,16H,8,10-11H2,1-6H3/b12-9+
InChIKey VXFRIZWKQBPNNS-FMIVXFBMSA-N
Molecular Weight 260.421 g/mol
SMILES C=1(C(C(CC=C(C)C)CCC1C)(C)C)\C=C\C(=O)C
SPLASH splash10-05fr-3920000000-849df1f32bfdd4b14460
Source of Spectrum F-40-1549-0
Synonyms (3E)-4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-3-buten-2-one 4-[2,2,6-trimethyl-3-(3-methyl-2-butenyl)-5-cyclohexenyl]-3-buten-2-one
Wiley ID 1264290