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3-Cyclohexen-1-one, 2,6,6-trimethyl-2-(1-oxo-2-butenyl)-, [S-(E)]-
SpectraBase Compound ID E7jbPLcSGb7
InChI InChI=1S/C13H18O2/c1-5-7-10(14)13(4)9-6-8-12(2,3)11(13)15/h5-7,9H,8H2,1-4H3/b7-5+/t13-/m0/s1
InChIKey DWOXOMCCRXVTBJ-IYNGYCSASA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJX2guEoc1s
Name 3-Cyclohexen-1-one, 2,6,6-trimethyl-2-(1-oxo-2-butenyl)-, [S-(E)]-
CAS Registry Number 56083-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-7-10(14)13(4)9-6-8-12(2,3)11(13)15/h5-7,9H,8H2,1-4H3/b7-5+/t13-/m0/s1
InChIKey DWOXOMCCRXVTBJ-IYNGYCSASA-N
Molecular Weight 206.285 g/mol
SMILES [C@]1(C(C(C)(C)CC=C1)=O)(C(\C=C\C)=O)C
SPLASH splash10-014i-9100000000-7d1cbac213ced2f1ca1a
Source of Spectrum H-56-2033-8
Synonyms (2S)-2-[(2E)-2-butenoyl]-2,6,6-trimethyl-3-cyclohexen-1-one 2,2,6-Trimethyl-5-crotonylcyclohexen-3-one
Wiley ID 1204648