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3-(Methoxycarbonyl)-3,6-diphenyl-1,2,3,4-tetrahydro-1-methyl-1,2,4,5-tetrazine

View entire compound with spectra: 1 MS (GC)

3-(Methoxycarbonyl)-3,6-diphenyl-1,2,3,4-tetrahydro-1-methyl-1,2,4,5-tetrazine
SpectraBase Compound ID 5P4TgLLyAPy
InChI InChI=1S/C17H18N4O2/c1-21-15(13-9-5-3-6-10-13)18-19-17(20-21,16(22)23-2)14-11-7-4-8-12-14/h3-12,19-20H,1-2H3
InChIKey VHOWAAPAUHKFFM-UHFFFAOYSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LK763apBGa
Name 3-(Methoxycarbonyl)-3,6-diphenyl-1,2,3,4-tetrahydro-1-methyl-1,2,4,5-tetrazine
CAS Registry Number 137257-21-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c1-21-15(13-9-5-3-6-10-13)18-19-17(20-21,16(22)23-2)14-11-7-4-8-12-14/h3-12,19-20H,1-2H3
InChIKey VHOWAAPAUHKFFM-UHFFFAOYSA-N
Molecular Weight 310.357 g/mol
SMILES N1C(NN=C(N1C)c1ccccc1)(c1ccccc1)C(=O)OC
SPLASH splash10-0udi-0095000000-4e7d6192a640cff07141
Source of Spectrum U-1992-123-21
Synonyms methyl 1-methyl-3,6-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazine-3-carboxylate
Wiley ID 763784