| SpectraBase Spectrum ID |
34CRJn33K3n |
| Name |
4-Bromo-3-nitro-5-(propylthio)benzoic acid methyl ester |
| Alternate Name(s) |
Methyl 4-bromanyl-3-nitro-5-propylsulfanyl-benzoate
Methyl 4-bromo-3-nitro-5-propylsulfanylbenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12BrNO4S |
| InChI |
InChI=1S/C11H12BrNO4S/c1-3-4-18-9-6-7(11(14)17-2)5-8(10(9)12)13(15)16/h5-6H,3-4H2,1-2H3 |
| InChIKey |
LXIZSWPZJJKNIS-UHFFFAOYSA-N |
| Molecular Weight |
334.184 g/mol |
| SMILES |
C(c1cc(c(c(c1)SCCC)Br)N(=O)=O)(=O)OC |
| SPLASH |
splash10-0006-0095000000-297192222b486cb7abc0 |
| Source of Spectrum |
F-68-9586-41 |
| Wiley ID |
1573842 |
