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4,6,6-trimethyl-5-[(E)-1-oxobut-2-enyl]-1-cyclohexa-2,4-dienone
SpectraBase Compound ID Kt9HURqhc6b
InChI InChI=1S/C13H16O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h5-8H,1-4H3/b6-5+
InChIKey FTIUWPNZNJNERP-AATRIKPKSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHqStret8w2
Name 4,6,6-trimethyl-5-[(E)-1-oxobut-2-enyl]-1-cyclohexa-2,4-dienone
Alternate Name(s) 5-[(E)-but-2-enoyl]-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one
CAS Registry Number 54382-49-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h5-8H,1-4H3/b6-5+
InChIKey FTIUWPNZNJNERP-AATRIKPKSA-N
Molecular Weight 204.269 g/mol
SMILES C=1(C(C(=O)C=CC1C)(C)C)C(\C=C\C)=O
SPLASH splash10-014i-9100000000-5c47497f3cf517eb1bd3
Source of Spectrum H-56-2033-9
Wiley ID 1201993