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[2.2]-(2,5)-(3,4-trimethylene)thiophenophane
SpectraBase Compound ID HQjQiojr5rU
InChI InChI=1S/C18H20S2/c1-3-11-12(4-1)16-8-10-18-14-6-2-5-13(14)17(20-18)9-7-15(11)19-16/h1-10H2
InChIKey IJYPJBDBFHCTKM-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 JWHIiB7vrPU
Name [2.2]-(2,5)-(3,4-trimethylene)thiophenophane
CAS Registry Number 120319-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20S2
InChI InChI=1S/C18H20S2/c1-3-11-12(4-1)16-8-10-18-14-6-2-5-13(14)17(20-18)9-7-15(11)19-16/h1-10H2
InChIKey IJYPJBDBFHCTKM-UHFFFAOYSA-N
Molecular Weight 300.478 g/mol
SMILES c12sc(c3CCCc23)CCc2sc(CC1)c1CCCc21
SPLASH splash10-0udi-0900000000-92ec8e921aa57f164b29
Source of Spectrum K-124-362-27
Synonyms 19,20-dithiapentacyclo[11.5.1.1(4,10).0(5,9).0(14,18)]icosa-1(18),4,9,13-tetraene
Wiley ID 1303092