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cis-3-(phenylthio)-5,6,4a,8a-tetrahydro-8a-methyl-naphthalene-1,8(4H,7H)-dione
SpectraBase Compound ID KJ9DU52Vwvr
InChI InChI=1S/C17H18O2S/c1-17-12(6-5-9-15(17)18)10-14(11-16(17)19)20-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/t12-,17+/m1/s1
InChIKey MBSTXQLKORXVFS-PXAZEXFGSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bg8JwSmYqyc
Name cis-3-(phenylthio)-5,6,4a,8a-tetrahydro-8a-methyl-naphthalene-1,8(4H,7H)-dione
CAS Registry Number 105090-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-17-12(6-5-9-15(17)18)10-14(11-16(17)19)20-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/t12-,17+/m1/s1
InChIKey MBSTXQLKORXVFS-PXAZEXFGSA-N
Molecular Weight 286.389 g/mol
SMILES [C@]12(C(C=C(C[C@]2(CCCC1=O)[H])Sc1ccccc1)=O)C
SPLASH splash10-00p0-5290000000-49c93e0d526090398617
Source of Spectrum J-52-118-0
Synonyms (4aR,8aS)-8a-methyl-6-(phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione
Wiley ID 1289963