| SpectraBase Spectrum ID |
9YC2ouOx4hJ |
| Name |
(4,5-trans)-3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)(2-nitrophenyl)methyl]-5-methyleneheptane-2,6-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H17ClF4N2O4 |
| InChI |
InChI=1S/C21H17ClF4N2O4/c1-9(10(2)29)8-13(11(3)30)20(12-6-4-5-7-14(12)28(31)32)27-21-18(25)16(23)15(22)17(24)19(21)26/h4-7,13,20,27H,1,8H2,2-3H3/t13-,20+/m0/s1 |
| InChIKey |
ZYAXAGDIUHYMFQ-RNODOKPDSA-N |
| Molecular Weight |
472.824 g/mol |
| SMILES |
N([C@](c1c(N(=O)=O)cccc1)([C@@](CC(C(=O)C)=C)(C(=O)C)[H])[H])c1c(c(F)c(c(c1F)F)Cl)F |
| SPLASH |
splash10-0006-9001000000-c82f88be39c109949149 |
| Source of Spectrum |
KC-61-3848-3 |
| Synonyms |
(3R)-3-[(S)-(4-chloro-2,3,5,6-tetrafluoroanilino)-(2-nitrophenyl)methyl]-5-methyleneheptane-2,6-dione
(3R)-3-[(S)-(4-chloro-2,3,5,6-tetrafluoroanilino)-(2-nitrophenyl)methyl]-5-methylideneheptane-2,6-dione
(3R)-3-[(S)-[[4-chloranyl-2,3,5,6-tetrakis(fluoranyl)phenyl]amino]-(2-nitrophenyl)methyl]-5-methylidene-heptane-2,6-dione |
| Wiley ID |
1628654 |
![(4,5-trans)-3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)(2-nitrophenyl)methyl]-5-methyleneheptane-2,6-dione](/api/spectrum/9YC2ouOx4hJ/structure.png?h=300&w=458 "(4,5-trans)-3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)(2-nitrophenyl)methyl]-5-methyleneheptane-2,6-dione")
