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3,12-Dithiatricyclo[12.2.2.2(6,9)]eicosa-6,8,14,16,17,19-hexaene
SpectraBase Compound ID CjNamT1ouYq
InChI InChI=1S/C18H20S2/c1-2-16-4-3-15(1)9-11-19-13-17-5-7-18(8-6-17)14-20-12-10-16/h1-8H,9-14H2
InChIKey SMTCMJHFDRISSE-UHFFFAOYSA-N
Mol Weight 300.48 g/mol
Molecular Formula C18H20S2
Exact Mass 300.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCiQEiD227j
Name 3,12-Dithiatricyclo[12.2.2.2(6,9)]eicosa-6,8,14,16,17,19-hexaene
Alternate Name(s) 2,13-Dithia[4.4]paracyclophane 3,12-dithiatricyclo[12.2.2.2(6,9)]icosa-1(16),6,8,14,17,19-hexaene
CAS Registry Number 62587-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20S2
InChI InChI=1S/C18H20S2/c1-2-16-4-3-15(1)9-11-19-13-17-5-7-18(8-6-17)14-20-12-10-16/h1-8H,9-14H2
InChIKey SMTCMJHFDRISSE-UHFFFAOYSA-N
Molecular Weight 300.478 g/mol
SMILES C1SCCc2ccc(CCSCc3ccc1cc3)cc2
SPLASH splash10-0udi-0902000000-864a9e7d88747e5248b6
Source of Spectrum K-112-255-4
Wiley ID 1303086