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2-Methyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID F17UXXvSs4c
InChI InChI=1S/C18H18N6O4/c1-22-18(26)24(12-6-4-3-5-7-12)20-16(19-22)15-17(25)28-21-23(15)13-8-10-14(27-2)11-9-13/h3-11,16,19-20H,1-2H3
InChIKey ZCBOYUOHSRIPTQ-UHFFFAOYSA-N
Mol Weight 382.38 g/mol
Molecular Formula C18H18N6O4
Exact Mass 382.138953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Uezieuh7Y
Name 2-Methyl-6-[3-(4-methoxyphenyl)sydnon-4-yl]-4-phenyl-1,2,4,5-tetrazinan-3-one
Alternate Name(s) 3-(4-Methoxyphenyl)-4-(1-methyl-6-oxo-5-phenyl-1,2,4,5-tetrazinan-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6O4
InChI InChI=1S/C18H18N6O4/c1-22-18(26)24(12-6-4-3-5-7-12)20-16(19-22)15-17(25)28-21-23(15)13-8-10-14(27-2)11-9-13/h3-11,16,19-20H,1-2H3
InChIKey ZCBOYUOHSRIPTQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100110
Molecular Weight 382.380 g/mol
SMILES N1N(C(N(NC1c1c([O-])on[n+]1-c1ccc(OC)cc1)c1ccccc1)=O)C
SPLASH splash10-057i-4901000000-7448423efe7a734be260
Source of Spectrum QA-48-777-7c
Wiley ID 1795366