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1,2,3,4,5,6-hexakis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5,2,4,6-triazatriborinane
SpectraBase Compound ID Bh0VgX0itX0
InChI InChI=1S/C36H30B3N3/c1-7-19-31(20-8-1)37-40(34-25-13-4-14-26-34)38(32-21-9-2-10-22-32)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)41(37)35-27-15-5-16-28-35/h1-30H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKey XTKHGXVXAPNGEV-GMLXFPMMSA-N
Mol Weight 567.3 g/mol
Molecular Formula C362D30B3N3
Exact Mass 567.460191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ2SuB7ikSf
Name 1,2,3,4,5,6-hexakis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5,2,4,6-triazatriborinane
Alternate Name(s) 1,2,3,4,5,6-hexakis(phenyl-d5)-1,3,5,2,4,6-triazatriborinane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36D30B3N3
InChI InChI=1S/C36H30B3N3/c1-7-19-31(20-8-1)37-40(34-25-13-4-14-26-34)38(32-21-9-2-10-22-32)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)41(37)35-27-15-5-16-28-35/h1-30H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKey XTKHGXVXAPNGEV-GMLXFPMMSA-N
Molecular Weight 567.270 g/mol
SMILES c1(B2N(B(N(B(N2c2c(c(c(c(c2[2D])[2D])[2D])[2D])[2D])c2c(c(c(c(c2[2D])[2D])[2D])[2D])[2D])c2c(c(c(c(c2[2D])[2D])[2D])[2D])[2D])c2c(c(c(c(c2[2D])[2D])[2D])[2D])[2D])c2c(c(c(c(c2[2D])[2D])[2D])[2D])[2D])c(c(c(c(c1[2D])[2D])[2D])[2D])[2D]
SPLASH splash10-0170-0904280000-d40c700ef81654b593b3
Source of Spectrum DZ-460-173-173_8
Wiley ID 1800314