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3-Methyl-3-{[5'-methyl-2-(1"-methylethyl)cyclohexyl]oxy}-isobenzofuran-1(3H)-one
SpectraBase Compound ID AaCgZe51eOW
InChI InChI=1S/C19H26O3/c1-12(2)14-10-9-13(3)11-17(14)21-19(4)16-8-6-5-7-15(16)18(20)22-19/h5-8,12-14,17H,9-11H2,1-4H3
InChIKey CFKDSTMZNDYZRW-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESuKiQrvAxQ
Name 3-Methyl-3-{[5'-methyl-2-(1"-methylethyl)cyclohexyl]oxy}-isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-12(2)14-10-9-13(3)11-17(14)21-19(4)16-8-6-5-7-15(16)18(20)22-19/h5-8,12-14,17H,9-11H2,1-4H3
InChIKey CFKDSTMZNDYZRW-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
SMILES C1(OC(=O)c2c1cccc2)(OC1C(CCC(C1)C)C(C)C)C
SPLASH splash10-0002-1900000000-0d7f7d05b48474e66226
Source of Spectrum H-86-2892-0
Synonyms (3R)-3-Methyl-3-{[5'-methyl-2-(1''-methylethyl)cyclohexyl]oxy}-isobenzofuran-1(3H)-one (3S)-3-Methyl-3-{[5'-methyl-2-(1''-methylethyl)cyclohexyl]oxy}-isobenzofuran-1(3H)-one 3-[(2-isopropyl-5-methylcyclohexyl)oxy]-3-methyl-2-benzofuran-1(3H)-one
Wiley ID 1525641