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3,11-Dithia-7-methyltetracyclo[11.5.3.1(5,9).0(17,21)docosan-5,7,9(22),13,15,17(21),18(1),19-octaene
SpectraBase Compound ID J2bUJJ2rWyy
InChI InChI=1S/C21H20S2/c1-15-7-17-9-18(8-15)13-23-14-20-4-2-3-19-10-16(11-22-12-17)5-6-21(19)20/h2-10H,11-14H2,1H3
InChIKey SOYPWUBUQXBYNR-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 6DEOt1LECn2
Name 3,11-Dithia-7-methyltetracyclo[11.5.3.1(5,9).0(17,21)docosan-5,7,9(22),13,15,17(21),18(1),19-octaene
Alternate Name(s) 19-Methyl-3,15-dithiatetracyclo[15.3.1.1(5,9).0(8,13)]docosa-1(21),5(22),6,8,10,12,17,19-octaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-15-7-17-9-18(8-15)13-23-14-20-4-2-3-19-10-16(11-22-12-17)5-6-21(19)20/h2-10H,11-14H2,1H3
InChIKey SOYPWUBUQXBYNR-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES c12c3cc(cc2)CSCc2cc(CSCc1ccc3)cc(c2)C
SPLASH splash10-0670-0902000000-b2a91aa5a91054914bfd
Source of Spectrum O-26-654-19
Wiley ID 1332635