For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,6-Diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-triene-4-carbonitrile, 5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-
SpectraBase Compound ID AGP1ohhFdVp
InChI InChI=1S/C19H16ClN3OS/c20-15-3-1-12(2-4-15)17(24)11-25-19-14(10-21)9-16-18(22-19)13-5-7-23(16)8-6-13/h1-4,9,13H,5-8,11H2
InChIKey XHWBKQQMDQYHHR-UHFFFAOYSA-N
Mol Weight 369.87 g/mol
Molecular Formula C19H16ClN3OS
Exact Mass 369.070261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JEkia9KmwZu
Name 1,6-Diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-triene-4-carbonitrile, 5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN3OS
InChI InChI=1S/C19H16ClN3OS/c20-15-3-1-12(2-4-15)17(24)11-25-19-14(10-21)9-16-18(22-19)13-5-7-23(16)8-6-13/h1-4,9,13H,5-8,11H2
InChIKey XHWBKQQMDQYHHR-UHFFFAOYSA-N
Molecular Weight 369.870 g/mol
SMILES c12nc(c(cc2N2CCC1CC2)C#N)SCC(=O)c1ccc(cc1)Cl
SPLASH splash10-0019-4931000000-949b2b43f986bf324f28
Wiley ID 1448593