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4,6,6-trimethyl-5-(1-oxobutyl)-1-cyclohex-3-enone
SpectraBase Compound ID 9Jvpip1HyGR
InChI InChI=1S/C13H20O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h7,12H,5-6,8H2,1-4H3
InChIKey NROPOTLXHCEREJ-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL9UMIrE2Lm
Name 4,6,6-trimethyl-5-(1-oxobutyl)-1-cyclohex-3-enone
CAS Registry Number 53398-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h7,12H,5-6,8H2,1-4H3
InChIKey NROPOTLXHCEREJ-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1(C(C(C)=CCC1=O)C(=O)CCC)(C)C
SPLASH splash10-00r6-9400000000-23669d763c10cacefc18
Source of Spectrum H-56-2034-14
Synonyms 5-Butanoyl-4,6,6-trimethyl-cyclohex-3-en-1-one 5-Butyryl-4,6,6-trimethyl-cyclohex-3-en-1-one
Wiley ID 1207103