| SpectraBase Compound ID | MeLXt18jnp |
|---|---|
| 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,37-1,38-1,39-1 |
| InChIKey | XTKHGXVXAPNGEV-SXXKSIDTSA-N |
| Mol Weight | 564.9 g/mol |
| Molecular Formula | C362H3010B3N3 |
| Exact Mass | 564.471086 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Uq8xI3G4Uu |
|---|---|
| Name | 1,2,3,4,5,6-hexakis(phenyl-d5)-1,3,5,2,4,6-triazatriborinane-2,4,6-10B3 |
| Comments | Original formula: C36D30[10B]3N3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H30B3N3 |
| 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,37-1,38-1,39-1 |
| InChIKey | XTKHGXVXAPNGEV-SXXKSIDTSA-N |
| Molecular Weight | 564.879 g/mol |
| SMILES | c1([10B]2N([10B](N([10B](N2c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])c(c(c(c(c1[2H])[2H])[2H])[2H])[2H] |
| SPLASH | splash10-03g0-0905280000-69384c992cd06faaee96 |
| Source of Spectrum | DZ-460-173-173_9 |
| Wiley ID | 1800315 |