| SpectraBase Spectrum ID |
1bsMNEwAMW3 |
| Name |
Dienestrol 4-phenyl-1,2,4-triazoline-3,5-dione adduct |
| CAS Registry Number |
64490-50-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H23N3O4 |
| InChI |
InChI=1S/C26H23N3O4/c1-3-23(18-10-14-21(30)15-11-18)24(4-2)19-12-16-22(17-13-19)33-29-26(32)28(25(31)27-29)20-8-6-5-7-9-20/h3-17,30H,1-2H3,(H,27,31)/b23-3+,24-4+ |
| InChIKey |
RAIBJHPKJDKCAO-GBKOTFCMSA-N |
| Molecular Weight |
441.487 g/mol |
| SMILES |
N1N(Oc2ccc(\C(\C(c3ccc(cc3)O)=C/C)=C\C)cc2)C(N(c2ccccc2)C1=O)=O |
| SPLASH |
splash10-014l-1490600000-87e6317546335ba24e0a |
| Source of Spectrum |
J-43-974-0 |
| Synonyms |
1-{4-[(1E,2E)-1-ethylidene-2-(4-hydroxyphenyl)-2-butenyl]phenoxy}-4-phenyl-1,2,4-triazolidine-3,5-dione |
| Wiley ID |
1385095 |
