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2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-, (R)-
SpectraBase Compound ID L2jhJSppGyU
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKey GSTVTHMQXVKNQF-LBPRGKRZSA-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 35kMJHTGcgC
Name 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-, (R)-
CAS Registry Number 52670-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKey GSTVTHMQXVKNQF-LBPRGKRZSA-N
Molecular Weight 208.301 g/mol
SMILES C=1([C@@](C(C)(C)CC(C1)=O)(CCC(=O)C)[H])C
SPLASH splash10-0k9f-7910000000-ead4b999765dae416c91
Source of Spectrum SB-28-287-10
Synonyms (4R)-3,5,5-trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one 4-Megastigmen-3,9-dione (4R)-3,5,5-trimethyl-4-(3-oxobutyl)-1-cyclohex-2-enone (4R)-3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one (4R)-3,5,5-trimethyl-4-(3-oxidanylidenebutyl)cyclohex-2-en-1-one
Wiley ID 1207097