| SpectraBase Spectrum ID |
7o6ZlbYcB8a |
| Name |
Propanedinitrile, (3-methoxyestra-1,3,5(10)-trien-17-ylidene)- |
| CAS Registry Number |
68352-17-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N2O |
| InChI |
InChI=1S/C22H24N2O/c1-22-10-9-18-17-6-4-16(25-2)11-14(17)3-5-19(18)21(22)8-7-20(22)15(12-23)13-24/h4,6,11,18-19,21H,3,5,7-10H2,1-2H3/t18-,19-,21+,22-/m1/s1 |
| InChIKey |
VLTONNSZFMFGIG-KRXUUXHPSA-N |
| Molecular Weight |
332.447 g/mol |
| SMILES |
[C@@]12(C(=C(C#N)C#N)CC[C@]2([C@@]2(CCc3c([C@]2(CC1)[H])ccc(OC)c3)[H])[H])C |
| SPLASH |
splash10-01q9-0906000000-e160f8bad18ee1cd483c |
| Source of Spectrum |
K-111-3102-0 |
| Synonyms |
(3-methoxy-1,3,5(10)-estratrien-17-yliden)malonitrile
2-[3-methoxyestra-1,3,5(10)-trien-17-ylidene]malononitrile
Estrane, propanedinitrile deriv. |
| Wiley ID |
1329908 |
