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6-Deuterio-2-methyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,2,4,5-tetrazinane-3-thione
SpectraBase Compound ID GouXIm13VJT
InChI InChI=1S/C15H16N4S/c1-18-15(20)19(13-10-6-3-7-11-13)17-14(16-18)12-8-4-2-5-9-12/h2-11,14,16-17H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,14D
InChIKey SGWILGVDOLCQSZ-NUNPVUPESA-N
Mol Weight 295.45 g/mol
Molecular Formula C15H5D11N4S
Exact Mass 295.178612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5XFXgxuU8Z
Name 6-Deuterio-2-methyl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,2,4,5-tetrazinane-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H5D11N4S
InChI InChI=1S/C15H16N4S/c1-18-15(20)19(13-10-6-3-7-11-13)17-14(16-18)12-8-4-2-5-9-12/h2-11,14,16-17H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,14D
InChIKey SGWILGVDOLCQSZ-NUNPVUPESA-N
Molecular Weight 295.448 g/mol
SMILES N1C(c2c(c([D])c(c(c2[D])[D])[D])[D])(NN(C)C(N1c1c(c([D])c(c(c1[D])[D])[D])[D])=S)[D]
SPLASH splash10-03e9-9830000000-1306b8b0d104551a8be7
Source of Spectrum KC-0-543-7
Wiley ID 820986