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14-(2-phenylethynyl)-3,8-dithiabicyclo[8.3.1]tetradeca-1(14),10,12-trien-5-yne
SpectraBase Compound ID KsqN2jEswUs
InChI InChI=1S/C20H16S2/c1-2-7-17(8-3-1)11-12-20-18-9-6-10-19(20)16-22-14-5-4-13-21-15-18/h1-3,6-10H,13-16H2
InChIKey JEVMHULEDCIALF-UHFFFAOYSA-N
Mol Weight 320.47 g/mol
Molecular Formula C20H16S2
Exact Mass 320.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9V2RMWtjet
Name 14-(2-phenylethynyl)-3,8-dithiabicyclo[8.3.1]tetradeca-1(14),10,12-trien-5-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16S2
InChI InChI=1S/C20H16S2/c1-2-7-17(8-3-1)11-12-20-18-9-6-10-19(20)16-22-14-5-4-13-21-15-18/h1-3,6-10H,13-16H2
InChIKey JEVMHULEDCIALF-UHFFFAOYSA-N
Molecular Weight 320.468 g/mol
SMILES C(#Cc1ccccc1)c1c2CSCC#CCSCc1ccc2
SPLASH splash10-014i-0090000000-aa78ac7350efb90dfc30
Source of Spectrum U1-1999-794-10
Wiley ID 752611