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1,8(2H,5H)-Naphthalenedione, 3,4,4a,8a-tetrahydro-4,4,8a-trimethyl-6-(phenylthio)-, cis-
SpectraBase Compound ID pviDjaDLwd
InChI InChI=1S/C19H22O2S/c1-18(2)10-9-16(20)19(3)15(18)11-14(12-17(19)21)22-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3/t15-,19-/m1/s1
InChIKey CEMBHZYWXLYCEI-DNVCBOLYSA-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 JBXlUwlWrcG
Name 1,8(2H,5H)-Naphthalenedione, 3,4,4a,8a-tetrahydro-4,4,8a-trimethyl-6-(phenylthio)-, cis-
Alternate Name(s) (4aR,8aR)-4,4,8a-trimethyl-6-(phenylsulfanyl)-3,4,4a,8a-tetrahydro-1,8(2H,5H)-naphthalenedione cis-3-phenylthio-1,4,5,6,7,8,4a.beta.,8a-octahydro-5,5,8a-trimethyl-napthalen-1,8-dione
CAS Registry Number 130385-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2S
InChI InChI=1S/C19H22O2S/c1-18(2)10-9-16(20)19(3)15(18)11-14(12-17(19)21)22-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3/t15-,19-/m1/s1
InChIKey CEMBHZYWXLYCEI-DNVCBOLYSA-N
Molecular Weight 314.443 g/mol
SMILES [C@@]12(C(C=C(C[C@@]2(C(C)(C)CCC1=O)[H])Sc1ccccc1)=O)C
SPLASH splash10-00or-9600000000-e58a8d6bd0db333ae60d
Source of Spectrum I-68-1175-13
Wiley ID 1315226