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4-Thiocyanoazupyrene
SpectraBase Compound ID I9RZ4cPq3ni
InChI InChI=1S/C17H9NS/c18-10-19-15-8-13-6-4-11-2-1-3-12-5-7-14(9-15)17(12)16(11)13/h1-9H
InChIKey CXBOBKXMKKXZEO-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C17H9NS
Exact Mass 259.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oXYvARlD7k
Name 4-Thiocyanoazupyrene
CAS Registry Number 109802-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9NS
InChI InChI=1S/C17H9NS/c18-10-19-15-8-13-6-4-11-2-1-3-12-5-7-14(9-15)17(12)16(11)13/h1-9H
InChIKey CXBOBKXMKKXZEO-UHFFFAOYSA-N
Molecular Weight 259.326 g/mol
SMILES c12c3cc(SC#N)cc4c2c(cc4)cccc1cc3
SPLASH splash10-0bvi-0090000000-c85ee12ac476a86b09e5
Source of Spectrum J-52-4393-9
Synonyms dicyclopenta[ef,kl]heptalen-4-yl thiocyanate
Wiley ID 1262925