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1-Thiocyanoazupyrene
SpectraBase Compound ID CDqxfOMQuBa
InChI InChI=1S/C17H9NS/c19-10-18-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)17(12)16(11)13/h1-9H
InChIKey JOKKWRZVUGNTDW-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 5P0UL97qTNb
Name 1-Thiocyanoazupyrene
CAS Registry Number 109802-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9NS
InChI InChI=1S/C17H9NS/c19-10-18-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)17(12)16(11)13/h1-9H
InChIKey JOKKWRZVUGNTDW-UHFFFAOYSA-N
Molecular Weight 259.326 g/mol
SMILES c12c3ccc2cccc2c1c(cc2)ccc3N=C=S
SPLASH splash10-0bvi-0090000000-c85ee12ac476a86b09e5
Source of Spectrum J-52-4393-8
Synonyms 3-isothiocyanatodicyclopenta[ef,kl]heptalene
Wiley ID 1262924