| SpectraBase Spectrum ID |
gO3DA3rg74 |
| Name |
2-(2,4-Dibromo-5-methoxyphenyl)-2-(thiophenyl)-1-nitroethane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13Br2NO3S |
| InChI |
InChI=1S/C15H13Br2NO3S/c1-21-14-6-10(12(16)7-13(14)17)11(8-18(19)20)9-4-2-3-5-15(9)22/h2-4,6-7,11H,5,8H2,1H3 |
| InChIKey |
JDJAEVDXEHPWLL-UHFFFAOYSA-N |
| Molecular Weight |
447.141 g/mol |
| SMILES |
C(c1c(cc(c(c1)OC)Br)Br)(C=1C(=S)CC=CC1)CN(=O)=O |
| SPLASH |
splash10-0006-0090100000-19c7188e8865f196435c |
| Source of Spectrum |
KD-13-2264-10 |
| Synonyms |
2-[1-(2,4-dibromo-5-methoxyphenyl)-2-nitroethyl]-2,4-cyclohexadiene-1-thione |
| Wiley ID |
1635493 |
