| SpectraBase Spectrum ID |
BJB9yWYtcI |
| Name |
Tetracyanoethylene adduct |
| Alternate Name(s) |
(3R,24R)-hexacyclo[13.9.0.0(2,12).0(3,24).0(6,11).0(16,21)]tetracosa-1,6(11),7,9,16(21),17,19-heptaene-13,13,14,14-tetracarbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H20N4 |
| InChI |
InChI=1S/C28H20N4/c29-13-27(14-30)25-19-7-3-1-5-17(19)9-11-21-22-12-10-18-6-2-4-8-20(18)26(24(22)23(21)25)28(27,15-31)16-32/h1-8,21-22,25-26H,9-12H2/t21-,22-,25?,26?/m1/s1 |
| InChIKey |
BBZFEKHKAVPPHD-URFUVCHWSA-N |
| Molecular Weight |
412.496 g/mol |
| SMILES |
C1(C(C2c3c(CC[C@@]4([C@@]5(C(C1c1c(CC5)cccc1)=C24)[H])[H])cccc3)(C#N)C#N)(C#N)C#N |
| SPLASH |
splash10-001i-0090000000-89897e5d4b6533dd5133 |
| Source of Spectrum |
J-58-5358-26 |
| Wiley ID |
1374675 |
