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2,5-Dithiabicyclo[4.4.1]undeca-6,8,10-triene
SpectraBase Compound ID Ib5m9f5ZIju
InChI InChI=1S/C9H10S2/c1-2-4-9-7-8(3-1)10-5-6-11-9/h1-4H,5-7H2
InChIKey AASPRPKRHUVYQW-UHFFFAOYSA-N
Mol Weight 182.3 g/mol
Molecular Formula C9H10S2
Exact Mass 182.022393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iSw2vc6X4A
Name 2,5-Dithiabicyclo[4.4.1]undeca-6,8,10-triene
CAS Registry Number 78638-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10S2
InChI InChI=1S/C9H10S2/c1-2-4-9-7-8(3-1)10-5-6-11-9/h1-4H,5-7H2
InChIKey AASPRPKRHUVYQW-UHFFFAOYSA-N
Molecular Weight 182.299 g/mol
SMILES C=12SCCSC(C2)=CC=CC1
SPLASH splash10-0fc0-5900000000-bc864408a42c07f74fa0
Source of Spectrum J-50-183-11
Synonyms 2,5-Dithiabicyclo[4.4.1]undeca-1(10),6,8-triene 7,10-Dithiabicyclo[4.4.1]undeca-1,3,5-trien
Wiley ID 1178222