| SpectraBase Spectrum ID |
8cbZl7k4kEk |
| Name |
Benzoic acid, 4-(methylthio)-3-nitro- |
| Alternate Name(s) |
4-(Methylsulfanyl)-3-nitrobenzoic acid
4-(methylthio)-3-nitro-benzoic acid
4-(methylthio)-3-nitrobenzoic acid
4-Methylsulfanyl-3-nitrobenzoic acid |
| CAS Registry Number |
64399-24-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7NO4S |
| InChI |
InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey |
BPZVSOOQLVSCDF-UHFFFAOYSA-N |
| Molecular Weight |
213.207 g/mol |
| SMILES |
OC(c1ccc(c(c1)N(=O)=O)SC)=O |
| SPLASH |
splash10-03mj-9500000000-db4948351279bbe06bd8 |
| Source of Spectrum |
W5-17401-0-0 |
| Wiley ID |
1212328 |
