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exo-4,6-Diphenyl-3-thiatricyclo[6.2.1.0]undec-4-ene
SpectraBase Compound ID 5Mx4F6yK376
InChI InChI=1S/C22H22S/c1-3-7-17(8-4-1)19-13-20(18-9-5-2-6-10-18)23-16-22-12-11-21(22,14-19)15-22/h1-10,13,19H,11-12,14-16H2/b20-13-
InChIKey CQFUFROYRYXJJU-MOSHPQCFSA-N
Mol Weight 318.48 g/mol
Molecular Formula C22H22S
Exact Mass 318.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvQaV5ZI31A
Name exo-4,6-Diphenyl-3-thiatricyclo[6.2.1.0]undec-4-ene
Alternate Name(s) 4,6-diphenyl-3-thiatricyclo[6.2.1.0(1,8)]undec-4-ene
CAS Registry Number 71436-35-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22S
InChI InChI=1S/C22H22S/c1-3-7-17(8-4-1)19-13-20(18-9-5-2-6-10-18)23-16-22-12-11-21(22,14-19)15-22/h1-10,13,19H,11-12,14-16H2/b20-13-
InChIKey CQFUFROYRYXJJU-MOSHPQCFSA-N
Molecular Weight 318.478 g/mol
SMILES C123C(CS\C(=C/C(C3)c3ccccc3)c3ccccc3)(C1)CC2
SPLASH splash10-00di-0093000000-5ddbc5a8ecab64ff68d9
Source of Spectrum J-44-4154-0
Wiley ID 1319065