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1,10-Bis(methylthio)-8-fluoro-16-methyl-[2(2)]metacyclophane
SpectraBase Compound ID 9pruGpA2Cqh
InChI InChI=1S/C19H21FS2/c1-12-15-8-5-9-16(12)18(22-3)11-14-7-4-6-13(19(14)20)10-17(15)21-2/h4-9,17-18H,10-11H2,1-3H3
InChIKey MNPHKIWJYKEQCK-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C19H21FS2
Exact Mass 332.106871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pOfgOPj2So
Name 1,10-Bis(methylthio)-8-fluoro-16-methyl-[2(2)]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21FS2
InChI InChI=1S/C19H21FS2/c1-12-15-8-5-9-16(12)18(22-3)11-14-7-4-6-13(19(14)20)10-17(15)21-2/h4-9,17-18H,10-11H2,1-3H3
InChIKey MNPHKIWJYKEQCK-UHFFFAOYSA-N
Molecular Weight 332.495 g/mol
SMILES c1(c2C(Cc3cccc(c3F)CC(c1ccc2)SC)SC)C
SPLASH splash10-00lr-0096000000-eaec75a97ee702b7bd27
Source of Spectrum KC-0-2364-9
Synonyms 16-fluoro-15-methyl-2,10-bis(methylsulfanyl)tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene
Wiley ID 821589