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5-(2-Isopropyl-5-methylcyclohexyloxy)-3-methyl-4-(phenylthio)tetrahydrofuran-2-one
SpectraBase Compound ID AcGuklFURrC
InChI InChI=1S/C21H30O3S/c1-13(2)17-11-10-14(3)12-18(17)23-21-19(15(4)20(22)24-21)25-16-8-6-5-7-9-16/h5-9,13-15,17-19,21H,10-12H2,1-4H3
InChIKey OJGBHGKXKZNBFW-UHFFFAOYSA-N
Mol Weight 362.53 g/mol
Molecular Formula C21H30O3S
Exact Mass 362.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAcISBw9pZq
Name 5-(2-Isopropyl-5-methylcyclohexyloxy)-3-methyl-4-(phenylthio)tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3S
InChI InChI=1S/C21H30O3S/c1-13(2)17-11-10-14(3)12-18(17)23-21-19(15(4)20(22)24-21)25-16-8-6-5-7-9-16/h5-9,13-15,17-19,21H,10-12H2,1-4H3
InChIKey OJGBHGKXKZNBFW-UHFFFAOYSA-N
Molecular Weight 362.528 g/mol
SMILES CC(C1CCC(CC1OC1C(C(C(O1)=O)C)Sc1ccccc1)C)C
SPLASH splash10-0udi-6900000000-d45399186c685a48f834
Synonyms 3-Methyl-5-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-4-phenylsulfanyl-oxolan-2-one 3-Methyl-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-(phenylthio)-2-oxolanone 5-(2-isopropyl-5-methyl-cyclohexoxy)-3-methyl-4-(phenylthio)tetrahydrofuran-2-one 5-(2-isopropyl-5-methyl-cyclohexoxy)-3-methyl-4-phenylsulfanyl-tetrahydrofuran-2-one 5-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3-methyl-4-(phenylsulfanyl)dihydro-2(3H)-furanone
Wiley ID 1474556