| SpectraBase Spectrum ID |
DvKb7hL950u |
| Name |
Ethyl .alpha.-(5'-acetyl-3'-nitro-2'-thienylthio)-4-chlorophenylacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14ClNO5S2 |
| InChI |
InChI=1S/C16H14ClNO5S2/c1-3-23-12(20)8-10-7-11(9(2)19)14(17)15(18(21)22)16(10)25-13-5-4-6-24-13/h4-7H,3,8H2,1-2H3 |
| InChIKey |
FDIQUJNAJVQOSV-UHFFFAOYSA-N |
| Molecular Weight |
399.863 g/mol |
| SMILES |
c1(c(c(CC(=O)OCC)cc(c1Cl)C(=O)C)Sc1sccc1)N(=O)=O |
| SPLASH |
splash10-0002-0900000000-d77bec58027ca6c995be |
| Source of Spectrum |
Y-35-1526-14 |
| Synonyms |
ethyl[5-acetyl-4-chloro-3-nitro-2-(2-thienylsulfanyl)phenyl]acetate |
| Wiley ID |
1368872 |
