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2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,2,4,5-tetrazinane-3-thione

View entire compound with spectra: 1 MS (GC)

2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,2,4,5-tetrazinane-3-thione
SpectraBase Compound ID 4eRxYe6SOox
InChI InChI=1S/C20H18N4S/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/i2D,3D,6D,7D,8D,9D,12D,13D,14D,15D
InChIKey STAULNQNGOBAEU-WORHRNKWSA-N
Mol Weight 356.51 g/mol
Molecular Formula C20H8D10N4S
Exact Mass 356.187985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PvddPQlo8
Name 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,2,4,5-tetrazinane-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H8D10N4S
InChI InChI=1S/C20H18N4S/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/i2D,3D,6D,7D,8D,9D,12D,13D,14D,15D
InChIKey STAULNQNGOBAEU-WORHRNKWSA-N
Molecular Weight 356.513 g/mol
SMILES N1N(C(N(c2c(c([D])c(c(c2[D])[D])[D])[D])NC1c1ccccc1)=S)c1c(c([D])c(c(c1[D])[D])[D])[D]
SPLASH splash10-0zgl-7923000000-66ff7b606567895bbb12
Source of Spectrum KC-0-543-7
Wiley ID 820990