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4-([2.2]Paracyclophan-4-yl)-1,3-dithiol-2-thione
SpectraBase Compound ID 7BAcoDKePdM
InChI InChI=1S/C19H16S3/c20-19-21-12-18(22-19)17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
InChIKey PFRWMXDRGXREHX-UHFFFAOYSA-N
Mol Weight 340.52 g/mol
Molecular Formula C19H16S3
Exact Mass 340.041414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17L2U3xKOx5
Name 4-([2.2]Paracyclophan-4-yl)-1,3-dithiol-2-thione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16S3
InChI InChI=1S/C19H16S3/c20-19-21-12-18(22-19)17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
InChIKey PFRWMXDRGXREHX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90X
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.207
Molecular Weight 340.517 g/mol
SMILES c12c(cc(cc2)CCc2ccc(cc2)CC1)C1=CSC(S1)=S
SPLASH splash10-03di-0903000000-c0316a335a5cd79a128d
Source of Spectrum BJO-11-SM6-6
Thin-Layer Chromatography Rf = 0.49
Wiley ID 1851611