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cis-3-(phenylthio)-8-methoxy-4a,5,6,8a-tetrahydro-8a-methylnaphthalen-1(1H)-one
SpectraBase Compound ID 5nlilYHtWI5
InChI InChI=1S/C18H20O2S/c1-18-13(7-6-10-17(18)20-2)11-15(12-16(18)19)21-14-8-4-3-5-9-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3/t13-,18-/m1/s1
InChIKey JGJGCSBQUCMNBJ-FZKQIMNGSA-N
Mol Weight 300.42 g/mol
Molecular Formula C18H20O2S
Exact Mass 300.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uTRr4D8ecO
Name cis-3-(phenylthio)-8-methoxy-4a,5,6,8a-tetrahydro-8a-methylnaphthalen-1(1H)-one
Alternate Name(s) (4aR,8aS)-8-methoxy-8a-methyl-3-(phenylsulfanyl)-4a,5,6,8a-tetrahydro-1(4H)-naphthalenone
CAS Registry Number 105090-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2S
InChI InChI=1S/C18H20O2S/c1-18-13(7-6-10-17(18)20-2)11-15(12-16(18)19)21-14-8-4-3-5-9-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3/t13-,18-/m1/s1
InChIKey JGJGCSBQUCMNBJ-FZKQIMNGSA-N
Molecular Weight 300.416 g/mol
SMILES [C@]12(C(C=C(C[C@]2(CCC=C1OC)[H])Sc1ccccc1)=O)C
SPLASH splash10-0006-8901000000-f1e35852756d86e152a5
Source of Spectrum J-52-118-26
Wiley ID 1303017