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anti-8-Cyano-10-methyl-9-methylthio[2.2](1,3)cyclophane
SpectraBase Compound ID 2xPKO2lqQ88
InChI InChI=1S/C19H17NS/c1-13-14-5-3-7-16(13)11-19(21-2)17-8-4-6-15(10-9-14)18(17)12-20/h3-10,19H,11H2,1-2H3/b10-9-
InChIKey MSDRQWJQJDFHCT-KTKRTIGZSA-N
Mol Weight 291.41 g/mol
Molecular Formula C19H17NS
Exact Mass 291.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtgBFiAfBHZ
Name anti-8-Cyano-10-methyl-9-methylthio[2.2](1,3)cyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NS
InChI InChI=1S/C19H17NS/c1-13-14-5-3-7-16(13)11-19(21-2)17-8-4-6-15(10-9-14)18(17)12-20/h3-10,19H,11H2,1-2H3/b10-9-
InChIKey MSDRQWJQJDFHCT-KTKRTIGZSA-N
Molecular Weight 291.412 g/mol
SMILES c1(c2C(Cc3cccc(c3C)\C=C/c1ccc2)SC)C#N
SPLASH splash10-004l-0090000000-412c6bfe149891111ae0
Source of Spectrum J-59-8278-15
Wiley ID 1294777