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3,11-Dithiatetracyclo[11.5.3.3.1(5,9).0(17,21)-docosan-5,7,9(22),13,15,17(21),18(1),19-octaene
SpectraBase Compound ID DL8yjMP9waG
InChI InChI=1S/C20H18S2/c1-3-15-9-16(4-1)12-22-14-19-6-2-5-18-10-17(13-21-11-15)7-8-20(18)19/h1-10H,11-14H2
InChIKey PADNBXXZSAESHJ-UHFFFAOYSA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgAaipYl8AN
Name 3,11-Dithiatetracyclo[11.5.3.3.1(5,9).0(17,21)-docosan-5,7,9(22),13,15,17(21),18(1),19-octaene
Alternate Name(s) 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 C20H18S2
InChI InChI=1S/C20H18S2/c1-3-15-9-16(4-1)12-22-14-19-6-2-5-18-10-17(13-21-11-15)7-8-20(18)19/h1-10H,11-14H2
InChIKey PADNBXXZSAESHJ-UHFFFAOYSA-N
Molecular Weight 322.484 g/mol
SMILES c12c3cc(cc2)CSCc2cc(CSCc1ccc3)ccc2
SPLASH splash10-0abi-0905000000-647ecfdc3546c51733d0
Source of Spectrum O-26-654-16
Wiley ID 1321940