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(3S,4aR,8aR)-3-Furan-3-yl-6-methyl-8a-phenylsulfanyl-3,4,4a,7,8,8a-hexahydro-isochromen-1-one
SpectraBase Compound ID IqZu9vOByk4
InChI InChI=1S/C20H20O3S/c1-14-7-9-20(24-17-5-3-2-4-6-17)16(11-14)12-18(23-19(20)21)15-8-10-22-13-15/h2-6,8,10-11,13,16,18H,7,9,12H2,1H3/t16-,18-,20+/m0/s1
InChIKey IHODCDPHQFMNOU-XKGZKEIXSA-N
Mol Weight 340.44 g/mol
Molecular Formula C20H20O3S
Exact Mass 340.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rmbfAi2cdx
Name (3S,4aR,8aR)-3-Furan-3-yl-6-methyl-8a-phenylsulfanyl-3,4,4a,7,8,8a-hexahydro-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O3S
InChI InChI=1S/C20H20O3S/c1-14-7-9-20(24-17-5-3-2-4-6-17)16(11-14)12-18(23-19(20)21)15-8-10-22-13-15/h2-6,8,10-11,13,16,18H,7,9,12H2,1H3/t16-,18-,20+/m0/s1
InChIKey IHODCDPHQFMNOU-XKGZKEIXSA-N
Molecular Weight 340.437 g/mol
SMILES [C@@]12(C(O[C@@](C[C@@]2(C=C(CC1)C)[H])(c1cocc1)[H])=O)Sc1ccccc1
SPLASH splash10-0zfu-6890000000-1afc78e03aca119ba7da
Source of Spectrum U1-2014-4086-16
Synonyms 6-Methyl-3-(fur-3-yl)-8a-phenylthio-2-oxaoctahydronaphthalen-1-one (3S,4aR,8aR)-3-(furan-3-yl)-6-methyl-8a-(phenylthio)-3,4,4a,7,8,8a-hexahydro-1H-isochromen-1-one
Wiley ID 1740761