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syn-18-Methyl 2,11-dithia[3.3]metacyclophane-9-carbonitrile
SpectraBase Compound ID 6xZHfKewcuq
InChI InChI=1S/C18H17NS2/c1-13-6-14-2-4-16(13)11-20-10-15-3-5-17(12-21-9-14)18(7-15)8-19/h2-7H,9-12H2,1H3
InChIKey KQYOVJXNKLTSQB-UHFFFAOYSA-N
Mol Weight 311.46 g/mol
Molecular Formula C18H17NS2
Exact Mass 311.080242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ljk3stzg895
Name syn-18-Methyl 2,11-dithia[3.3]metacyclophane-9-carbonitrile
Alternate Name(s) 13-Methyl-3,10-dithiatricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NS2
InChI InChI=1S/C18H17NS2/c1-13-6-14-2-4-16(13)11-20-10-15-3-5-17(12-21-9-14)18(7-15)8-19/h2-7H,9-12H2,1H3
InChIKey KQYOVJXNKLTSQB-UHFFFAOYSA-N
Molecular Weight 311.461 g/mol
SMILES C(#N)c1c2ccc(c1)CSCc1c(C)cc(CSC2)cc1
SPLASH splash10-00ke-0901000000-4cdd35260397f9136818
Source of Spectrum J-59-8278-4
Wiley ID 1312514