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2-Methyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID HoHZV9xLffa
InChI InChI=1S/C19H20N6O5/c1-23-19(27)25(13-6-10-15(29-3)11-7-13)21-17(20-23)16-18(26)30-22-24(16)12-4-8-14(28-2)9-5-12/h4-11,17,20-21H,1-3H3
InChIKey XOKPTLFPNPTFDG-UHFFFAOYSA-N
Mol Weight 412.41 g/mol
Molecular Formula C19H20N6O5
Exact Mass 412.149518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wvfRFBmjkR
Name 2-Methyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N6O5
InChI InChI=1S/C19H20N6O5/c1-23-19(27)25(13-6-10-15(29-3)11-7-13)21-17(20-23)16-18(26)30-22-24(16)12-4-8-14(28-2)9-5-12/h4-11,17,20-21H,1-3H3
InChIKey XOKPTLFPNPTFDG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 412.406 g/mol
SMILES N1N(C(N(NC1c1c([O-])on[n+]1-c1ccc(cc1)OC)c1ccc(cc1)OC)=O)C
SPLASH splash10-05cv-3900000000-0cf7107ee467a5b10326
Source of Spectrum QA-48-778-7e
Synonyms 3-(4-Methoxyphenyl)-4-(1-(4-methoxyphenyl)-5-methyl-6-oxo-1,2,4,5-tetrazinan-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795367