| SpectraBase Spectrum ID |
3JscUjnG6LA |
| Name |
(R)-4-(3,4-Dichloro-phenyl)-7-oxo-4,5,6,7-tetrahydro-oxepine-4-carbonitrile |
| Alternate Name(s) |
(4R)-4-(3,4-dichlorophenyl)-7-oxo-4,5,6,7-tetrahydro-4-oxepincarbonitrile
5-Cyano-5-(3',4'-dichlorophenyl)-4,5-dihydro-3H-oxepin-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9Cl2NO2 |
| InChI |
InChI=1S/C13H9Cl2NO2/c14-10-2-1-9(7-11(10)15)13(8-16)4-3-12(17)18-6-5-13/h1-2,5-7H,3-4H2/t13-/m0/s1 |
| InChIKey |
QOULHRPYENTTNX-ZDUSSCGKSA-N |
| Molecular Weight |
282.126 g/mol |
| SMILES |
[C@@]1(c2cc(Cl)c(cc2)Cl)(C#N)C=COC(CC1)=O |
| SPLASH |
splash10-0a4i-9040000000-be25e851eb81963ca733 |
| Source of Spectrum |
KC-57-8199-7 |
| Wiley ID |
1625966 |
