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(5R)-ISOPENTENYL-2-METHYL-3-(2-PHENYLETHYNYL)-CYCLOHEX-2-ENONE
SpectraBase Compound ID 5EKp7diHfrn
InChI InChI=1S/C18H18O/c1-13(2)17-11-16(14(3)18(19)12-17)10-9-15-7-5-4-6-8-15/h4-8,17H,1,11-12H2,2-3H3/t17-/m1/s1
InChIKey NZVHPENUQORZCK-QGZVFWFLSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KE5j8f1ZqGk
Name (5R)-2-methyl-3-(2-phenylethynyl)-5-prop-1-en-2-yl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O
InChI InChI=1S/C18H18O/c1-13(2)17-11-16(14(3)18(19)12-17)10-9-15-7-5-4-6-8-15/h4-8,17H,1,11-12H2,2-3H3/t17-/m1/s1
InChIKey NZVHPENUQORZCK-QGZVFWFLSA-N
Molecular Weight 250.341 g/mol
SMILES C1(C#Cc2ccccc2)=C(C(=O)C[C@@](C1)(C(=C)C)[H])C
SPLASH splash10-0pvl-0890000000-4728af81df5ff4600c98
Source of Spectrum KC-0-1309-14
Synonyms (5R)-2-methyl-5-(1-methylethenyl)-3-(2-phenylethynyl)-1-cyclohex-2-enone (5R)-5-isopropenyl-2-methyl-3-(2-phenylethynyl)cyclohex-2-en-1-one
Wiley ID 785902