| SpectraBase Spectrum ID |
COSQNUQjqqC |
| Name |
Dienestrol diacetate tetracyanoethylene adduct |
| Alternate Name(s) |
4-{2-[4-(acetyloxy)phenyl]-4,4,5,5-tetracyano-3,6-dimethyl-1-cyclohexen-1-yl}phenyl acetate |
| CAS Registry Number |
64490-48-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H22N4O4 |
| InChI |
InChI=1S/C28H22N4O4/c1-17-25(21-5-9-23(10-6-21)35-19(3)33)26(22-7-11-24(12-8-22)36-20(4)34)18(2)28(15-31,16-32)27(17,13-29)14-30/h5-12,17-18H,1-4H3 |
| InChIKey |
XKFZPMFFKMUECS-UHFFFAOYSA-N |
| Molecular Weight |
478.508 g/mol |
| SMILES |
C1(C(C(C)C(=C(C1C)c1ccc(OC(=O)C)cc1)c1ccc(OC(=O)C)cc1)(C#N)C#N)(C#N)C#N |
| SPLASH |
splash10-0006-0019300000-7575ddacc650989b0ce5 |
| Source of Spectrum |
J-43-974-0 |
| Wiley ID |
1394822 |
