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(4R)-3-Butyl-4-isopropylcyclohex-2-en-1-one
SpectraBase Compound ID J92QsfJIW3w
InChI InChI=1S/C13H22O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h9-10,13H,4-8H2,1-3H3/t13-/m1/s1
InChIKey YPIBWLFERVDUQC-CYBMUJFWSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IduGAjopMjZ
Name (4R)-3-Butyl-4-isopropylcyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h9-10,13H,4-8H2,1-3H3/t13-/m1/s1
InChIKey YPIBWLFERVDUQC-CYBMUJFWSA-N
Molecular Weight 194.318 g/mol
SMILES C1(=CC(=O)CC[C@@]1(C(C)C)[H])CCCC
SPLASH splash10-03dl-0900000000-675b526f2d4e060543e6
Source of Spectrum C-124-11099-14g
Synonyms (4R)-3-butyl-4-propan-2-yl-1-cyclohex-2-enone (4R)-3-butyl-4-propan-2-ylcyclohex-2-en-1-one (4R)-3-butyl-4-propan-2-yl-cyclohex-2-en-1-one
Wiley ID 1700883