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

*Links on SpectraBase are not permalinks.
3-(4-Methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID CAiNeZNsJX1
InChI InChI=1S/C13H17N3OS/c1-17-11-6-4-10(5-7-11)12-14-13(18)16-9-3-2-8-15(12)16/h4-7,12H,2-3,8-9H2,1H3,(H,14,18)
InChIKey SDCZBFKRYZMXKE-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C13H17N3OS
Exact Mass 263.109233 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 4AS3ddTOYyl
Name 3-(4-Methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo-[1,2-a]pyridazine-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3OS
InChI InChI=1S/C13H17N3OS/c1-17-11-6-4-10(5-7-11)12-14-13(18)16-9-3-2-8-15(12)16/h4-7,12H,2-3,8-9H2,1H3,(H,14,18)
InChIKey SDCZBFKRYZMXKE-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 263.359 g/mol
SMILES N1C(N2CCCCN2C1=S)c1ccc(cc1)OC
SPLASH splash10-01p9-9240000000-98fce92bb707fe19f848
Source of Spectrum G2-21-5528-2s
Synonyms 3-(4-Methoxyphenyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione
Wiley ID 1754147