| SpectraBase Compound ID | JRQeMWSeJRL |
|---|---|
| InChI | InChI=1S/C12H36B30/c1-4(10-28-13-7-14(13,28)16(7)17(7)15(7,13)29(10,13,28)31(10,15,17)32(10,16,17)30(10,14,16)28)2-6(12-38-23-9-24(23,38)26(9)27(9)25(9,23)39(12,23,38)41(12,25,27)42(12,26,27)40(12,24,26)38)3-5(1)11-33-18-8-19(18,33)21(8)22(8)20(8,18)34(11,18,33)36(11,20,22)37(11,21,22)35(11,19,21)33/h1-3,7-9,13-42H |
| InChIKey | WJZSCHBQWWHYGV-UHFFFAOYSA-N |
| Mol Weight | 505 g/mol |
| Molecular Formula | C12H36B30 |
| Exact Mass | 510.560856 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2wRGHekGrtX |
|---|---|
| Name | 1,3,5-Tris(1,12-dicarba-closo-dodecaboran-1-yl)benzene |
| Alternate Name(s) | 8-[3,5-bis(1,2,3,4,5,6,7,9,10,12-decaboranonadecacyclo[4.4.1.1(1,2).0(1,3).0(2,4).0(2,8).0(3,5).0(3,11).0(4,7).0(4,8).0(5,7).0(5,11).0(6,9).0(6,10).0(7,9).0(10,11).0(8,12).0(9,12).0(10,12)]dodecan-8-yl)phenyl]-1,2,3,4,5,6,7,9,10,12-decaboranonadecacyclo[4.4.1.1(1,2).0(1,3).0(2,4).0(2,8).0(3,5).0(3,11).0(4,7).0(4,8).0(5,7).0(5,11).0(6,9).0(6,10).0(7,9).0(10,11).0(8,12).0(9,12).0(10,12)]dodecane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H36B30 |
| InChI | InChI=1S/C12H36B30/c1-4(10-28-13-7-14(13,28)16(7)17(7)15(7,13)29(10,13,28)31(10,15,17)32(10,16,17)30(10,14,16)28)2-6(12-38-23-9-24(23,38)26(9)27(9)25(9,23)39(12,23,38)41(12,25,27)42(12,26,27)40(12,24,26)38)3-5(1)11-33-18-8-19(18,33)21(8)22(8)20(8,18)34(11,18,33)36(11,20,22)37(11,21,22)35(11,19,21)33/h1-3,7-9,13-42H |
| InChIKey | WJZSCHBQWWHYGV-UHFFFAOYSA-N |
| Molecular Weight | 504.720 g/mol |
| SMILES | [C]1234([BH]567[BH]448[BH]559[BH]44%10[CH]55%11[BH]797[BH]363[BH]226[BH]573[BH]4%116[BH]18%102)c1cc([C]2345[BH]678[BH]559[BH]66%10[BH]99%11[CH]66%12[BH]%13%14%15[BH]33([BH]45%11[BH]9%12%143)[BH]27%13[BH]8%106%15)cc([C]2345[BH]678[BH]229[BH]%10%11%12[BH]622[CH]%106%10[BH]722[BH]383[BH]447[BH]623[BH]%11%107[BH]59%124)c1 |
| SPLASH | splash10-0a4i-0040090000-8b2bf8e9ee00190a27eb |
| Source of Spectrum | C-119-3915-1 |
| Wiley ID | 760375 |