| SpectraBase Spectrum ID |
IFKAjPpqoQG |
| Name |
3,3,4,4(2H,5H)-Furantetracarbonitrile, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-, cis- |
| Alternate Name(s) |
(2R,5S)-2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,3,4,4(2H,5H)-furantetracarbonitrile |
| CAS Registry Number |
107246-03-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H13ClN4O2 |
| InChI |
InChI=1S/C21H13ClN4O2/c1-27-17-8-4-15(5-9-17)19-21(12-25,13-26)20(10-23,11-24)18(28-19)14-2-6-16(22)7-3-14/h2-9,18-19H,1H3/t18-,19+/m1/s1 |
| InChIKey |
NPAMCUVXAOCFQT-MOPGFXCFSA-N |
| Molecular Weight |
388.814 g/mol |
| SMILES |
C1(C([C@](c2ccc(cc2)OC)(O[C@@]1(c1ccc(cc1)Cl)[H])[H])(C#N)C#N)(C#N)C#N |
| SPLASH |
splash10-03di-0090000000-0735252122b4d47fb19a |
| Source of Spectrum |
C-109-2787-14 |
| Wiley ID |
1363759 |
