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3-(4-Hydroxy-2-isopropylphenylethynyl)-2-methylcyclohex-2-enone
SpectraBase Compound ID GZkZtR2JsCF
InChI InChI=1S/C18H20O2/c1-12(2)17-11-16(19)10-9-15(17)8-7-14-5-4-6-18(20)13(14)3/h9-12,19H,4-6H2,1-3H3
InChIKey NIBBGQBXMAHSLT-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFQOSVOb66u
Name 3-(4-Hydroxy-2-isopropylphenylethynyl)-2-methylcyclohex-2-enone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12(2)17-11-16(19)10-9-15(17)8-7-14-5-4-6-18(20)13(14)3/h9-12,19H,4-6H2,1-3H3
InChIKey NIBBGQBXMAHSLT-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES Oc1ccc(c(c1)C(C)C)C#CC1=C(C(=O)CCC1)C
SPLASH splash10-014i-0090000000-4faff4a4413c5922607b
Source of Spectrum F4-41-2057-3d
Wiley ID 1672499