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6-Deuterio-2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)-1,2,4,5-tetrazinan-3-one

View entire compound with spectra: 1 MS (GC)

6-Deuterio-2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)-1,2,4,5-tetrazinan-3-one
SpectraBase Compound ID ICsVcQMDh5m
InChI InChI=1S/C20H18N4O/c25-20-23(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)22-24(20)18-14-8-3-9-15-18/h1-15,19,21-22H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,19D
InChIKey WUHJYVFJSDDBEI-SDKLZTHMSA-N
Mol Weight 346.49 g/mol
Molecular Formula C20H2D16N4O
Exact Mass 346.248489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J6KNjyc1Q
Name 6-Deuterio-2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)-1,2,4,5-tetrazinan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H2D16N4O
InChI InChI=1S/C20H18N4O/c25-20-23(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)22-24(20)18-14-8-3-9-15-18/h1-15,19,21-22H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,19D
InChIKey WUHJYVFJSDDBEI-SDKLZTHMSA-N
Molecular Weight 346.489 g/mol
SMILES N1C(c2c(c([D])c(c(c2[D])[D])[D])[D])(NN(c2c(c([D])c(c(c2[D])[D])[D])[D])C(N1c1c(c([D])c(c(c1[D])[D])[D])[D])=O)[D]
SPLASH splash10-03e9-7903000000-a773591b515396eb6075
Source of Spectrum KC-0-542-5
Wiley ID 820998