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(3R,4R,5R)-5-{(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one
SpectraBase Compound ID LAL4Mh2wDuz
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/t14-,15+,17-,18-,19-,21-/m1/s1
InChIKey OJGBHGKXKZNBFW-WLMNYARBSA-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 A80ZzhpHS7B
Name (3R,4R,5R)-5-{(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one
Alternate Name(s) (3R,4R,5R)-5-{(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one (3R,4R,5R)-5-{[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-3-methyl-4-(phenylsulfanyl)dihydro-2(3H)-furanone
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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/t14-,15+,17-,18-,19-,21-/m1/s1
InChIKey OJGBHGKXKZNBFW-WLMNYARBSA-N
Molecular Weight 362.528 g/mol
SMILES [C@@]1(OC(=O)[C@]([C@]1(Sc1ccccc1)[H])(C)[H])(O[C@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])[H]
SPLASH splash10-0udi-0900000000-abecc60a63fc1b901225
Source of Spectrum F-54-3424-7
Wiley ID 806490