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3,7-bis(Phenylthio)bicyclo[3.3.1]nona-2,7-diene
SpectraBase Compound ID Cn0NkO6IRON
InChI InChI=1S/C21H20S2/c1-3-7-18(8-4-1)22-20-12-16-11-17(13-20)15-21(14-16)23-19-9-5-2-6-10-19/h1-10,12,14,16-17H,11,13,15H2
InChIKey NNFGRBOZUIOUSK-UHFFFAOYSA-N
Mol Weight 336.51 g/mol
Molecular Formula C21H20S2
Exact Mass 336.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BdblUZomkd
Name 3,7-bis(Phenylthio)bicyclo[3.3.1]nona-2,7-diene
Alternate Name(s) 3,7-bis(phenylsulfanyl)bicyclo[3.3.1]nona-2,7-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-3-7-18(8-4-1)22-20-12-16-11-17(13-20)15-21(14-16)23-19-9-5-2-6-10-19/h1-10,12,14,16-17H,11,13,15H2
InChIKey NNFGRBOZUIOUSK-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES C1(=CC2C=C(CC(C1)C2)Sc1ccccc1)Sc1ccccc1
SPLASH splash10-00n0-0935000000-ec37afd138b6ae739edb
Source of Spectrum U-1995-734-16
Wiley ID 766802