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5',5'-D(4-chlorophenyl)spiro[adamantane-2,3'-(1,2,4)trithiolane]
SpectraBase Compound ID 6YqwP2UdwiE
InChI InChI=1S/C23H22Cl2S3/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)26-23(28-27-22)18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19H,9-13H2/t14-,15+,18-,19+,23-
InChIKey SAKKPWCTIXIQGF-QDECYJLBSA-N
Mol Weight 465.52 g/mol
Molecular Formula C23H22Cl2S3
Exact Mass 464.02607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByGElMsCuiM
Name 5',5'-D(4-chlorophenyl)spiro[adamantane-2,3'-(1,2,4)trithiolane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Cl2S3
InChI InChI=1S/C23H22Cl2S3/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)26-23(28-27-22)18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19H,9-13H2/t14-,15+,18-,19+,23-
InChIKey SAKKPWCTIXIQGF-QDECYJLBSA-N
Molecular Weight 465.515 g/mol
SMILES C12(SC(c3ccc(cc3)Cl)(c3ccc(cc3)Cl)SS2)[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]
SPLASH splash10-067i-1980200000-cf6c609eb61f72f77125
Source of Spectrum F-53-957-24
Wiley ID 800187