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

*Links on SpectraBase are not permalinks.
2,4-Diphenyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID LoRrZX0mwX5
InChI InChI=1S/C23H20N6O4/c1-32-19-14-12-18(13-15-19)27-20(22(30)33-26-27)21-24-28(16-8-4-2-5-9-16)23(31)29(25-21)17-10-6-3-7-11-17/h2-15,21,24-25H,1H3
InChIKey NXDDSAFTKRAQJS-UHFFFAOYSA-N
Mol Weight 444.45 g/mol
Molecular Formula C23H20N6O4
Exact Mass 444.154603 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 ETI7RXPBXIS
Name 2,4-Diphenyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-1,2,4,5-tetrazinan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N6O4
InChI InChI=1S/C23H20N6O4/c1-32-19-14-12-18(13-15-19)27-20(22(30)33-26-27)21-24-28(16-8-4-2-5-9-16)23(31)29(25-21)17-10-6-3-7-11-17/h2-15,21,24-25H,1H3
InChIKey NXDDSAFTKRAQJS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 444.451 g/mol
SMILES N1N(C(N(NC1c1[n+](noc1[O-])-c1ccc(cc1)OC)c1ccccc1)=O)c1ccccc1
SPLASH splash10-00ou-9611400000-cfe1eb42e9d879621977
Source of Spectrum QA-48-779-7k
Synonyms 3-(4-Methoxyphenyl)-4-(6-oxo-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795373