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1H-Naphtho[1,8a-c]furan-8(3H)-one, 3a,4,5,6,6a,7-hexahydro-7-methyl-10-(phenylthio)-, (3a.alpha.,6a.alpha.,7.alpha.,10aR*)-(.+-.)-
SpectraBase Compound ID KpKiB98ByNh
InChI InChI=1S/C19H22O2S/c1-13-16-9-5-6-14-11-21-12-19(14,16)18(10-17(13)20)22-15-7-3-2-4-8-15/h2-4,7-8,10,13-14,16H,5-6,9,11-12H2,1H3/t13-,14+,16-,19-/m0/s1
InChIKey ZJYAZOZEBDIMHY-MVWRLGRASA-N
Mol Weight 314.44 g/mol
Molecular Formula C19H22O2S
Exact Mass 314.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0YdcOn3Oda
Name 1H-Naphtho[1,8a-c]furan-8(3H)-one, 3a,4,5,6,6a,7-hexahydro-7-methyl-10-(phenylthio)-, (3a.alpha.,6a.alpha.,7.alpha.,10aR*)-(.+-.)-
CAS Registry Number 125409-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2S
InChI InChI=1S/C19H22O2S/c1-13-16-9-5-6-14-11-21-12-19(14,16)18(10-17(13)20)22-15-7-3-2-4-8-15/h2-4,7-8,10,13-14,16H,5-6,9,11-12H2,1H3/t13-,14+,16-,19-/m0/s1
InChIKey ZJYAZOZEBDIMHY-MVWRLGRASA-N
Molecular Weight 314.443 g/mol
SMILES C=1([C@@]23[C@](CCC[C@@]3(COC2)[H])([H])[C@@](C(C1)=O)(C)[H])Sc1ccccc1
SPLASH splash10-03di-0049000000-87cbe59fab55b2c72e64
Source of Spectrum F-45-5605-17
Synonyms (3aS,6aS,7S,10aR)-7-methyl-10-(phenylsulfanyl)-3a,4,5,6,6a,7-hexahydronaphtho[1,8a-c]furan-8(3H)-one 3a.beta.,4,5,6,6a.beta.,7-hexahydro-7.beta.-methyl-10-phenylthio-1H-naphtho[1.8a.alpha.-C]furan-8(3H)-one
Wiley ID 1315223