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(E)-1-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]-2-buten-1-one
SpectraBase Compound ID 2H6EaHQ7PX7
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1
InChIKey CRIGTVCBMUKRSL-PZBABLGHSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcwHnkuvnc6
Name (E)-1-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]-2-buten-1-one
Alternate Name(s) (E)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-en-1-one 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one TMCHB FEMA NO. 3659
CAS Registry Number 43052-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1
InChIKey CRIGTVCBMUKRSL-PZBABLGHSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]1(C(=CCCC1(C)C)C)(C(\C=C\C)=O)[H]
SPLASH splash10-014l-9600000000-b993ceeca8a4f813293f
Source of Spectrum QC-17-1578-1
Wiley ID 1638302