| SpectraBase Spectrum ID |
2fueAdw7Qu |
| Name |
2-(Amino(2,4-dimethylphenyl)methylene)malononitrile-tris(pentafluorophenyl)borane-di-adduct |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1221.066002596 u |
| Formula |
C48H11B2F30N3 |
| InChI |
InChI=1S/C48H11B2F30N3/c1-8-3-4-11(9(2)5-8)48(81)10(6-82-49(12-18(51)30(63)42(75)31(64)19(12)52,13-20(53)32(65)43(76)33(66)21(13)54)14-22(55)34(67)44(77)35(68)23(14)56)7-83-50(15-24(57)36(69)45(78)37(70)25(15)58,16-26(59)38(71)46(79)39(72)27(16)60)17-28(61)40(73)47(80)41(74)29(17)62/h3-5H,81H2,1-2H3 |
| InChIKey |
VJOCRBAJUWTEFP-UHFFFAOYSA-N |
| Instrument Name |
Thermo Electron MAT 95-XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202201905 |
| Molecular Weight |
1221.209 g/mol |
| Quality |
23 |
| SMILES |
NC(C1=C(C=C(C=C1)C)C)=C(C#[N+][B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F)C#[N+][B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F |
| SPLASH |
splash10-01ri-0292050000-af187cf44107e0973325 |
| Source of Spectrum |
QE-28-SM54-o,p-4(m)Xyl.2B (DOI: 10.1002/chem.202201905) |
| Wiley ID |
1902478 |
