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6H,8H-1,5,9,13-dinitrilo-7-benzothiacyclopentadecin
SpectraBase Compound ID 1OcBhqWyjQm
InChI InChI=1S/C18H14N2S/c1-2-8-15-16-9-4-10-17(15)20-18(16)12-21-11-14-7-3-6-13(5-1)19(14)20/h1-10H,11-12H2/b2-1-,13-5+,15-8-
InChIKey XVBQCCPJYUVDQY-DMAKHDAHSA-N
Mol Weight 290.38 g/mol
Molecular Formula C18H14N2S
Exact Mass 290.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWljWYP1KGn
Name 6H,8H-1,5,9,13-dinitrilo-7-benzothiacyclopentadecin
CAS Registry Number 74844-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2S
InChI InChI=1S/C18H14N2S/c1-2-8-15-16-9-4-10-17(15)20-18(16)12-21-11-14-7-3-6-13(5-1)19(14)20/h1-10H,11-12H2/b2-1-,13-5+,15-8-
InChIKey XVBQCCPJYUVDQY-DMAKHDAHSA-N
Molecular Weight 290.384 g/mol
SMILES C1=2N3C4=CC=CC2\C4=C\C=C/C=C\2N3C(=CC=C2)CSC1
SPLASH splash10-0kbf-0290000000-e96efba8e6016912d8a9
Source of Spectrum J-45-4385-0
Synonyms 18-thia-1,21-diazapentacyclo[10.8.1.0(2,7).0(6,20).0(16,21)]henicosa-2,4,6(20),7,9,11,13,15-octaene
Wiley ID 1293852