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3,11-Dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5,7,9(18),13,15-hexaene, 17-phenyl-
SpectraBase Compound ID 5IM3LPUsJ9Q
InChI InChI=1S/C22H20S2/c1-2-8-19(9-3-1)22-20-10-5-11-21(22)16-24-14-18-7-4-6-17(12-18)13-23-15-20/h1-12H,13-16H2
InChIKey BITHKFYNYCCPCR-UHFFFAOYSA-N
Mol Weight 348.52 g/mol
Molecular Formula C22H20S2
Exact Mass 348.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdmaxH7pZ97
Name 3,11-Dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5,7,9(18),13,15-hexaene, 17-phenyl-
Alternate Name(s) 17-phenyl-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene 9-Phenyl-2,11-dithia[3,3]metacyclophane
CAS Registry Number 56263-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20S2
InChI InChI=1S/C22H20S2/c1-2-8-19(9-3-1)22-20-10-5-11-21(22)16-24-14-18-7-4-6-17(12-18)13-23-15-20/h1-12H,13-16H2
InChIKey BITHKFYNYCCPCR-UHFFFAOYSA-N
Molecular Weight 348.522 g/mol
SMILES c1(c2CSCc3cccc(c3)CSCc1ccc2)-c1ccccc1
SPLASH splash10-004j-0915000000-e5aa9cdc18aef2a6351f
Source of Spectrum I-62-666-0
Wiley ID 1340937