| SpectraBase Spectrum ID |
F13LJDgPWzS |
| Name |
4-chloro-3-nitro-5-(propylthio)benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12ClNO4S |
| InChI |
InChI=1S/C11H12ClNO4S/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 |
UCNYPXFZFYNKDD-UHFFFAOYSA-N |
| Molecular Weight |
289.733 g/mol |
| SMILES |
C(c1cc(c(c(c1)SCCC)Cl)N(=O)=O)(=O)OC |
| SPLASH |
splash10-000b-0090000000-3985db13a9f0ff4b9c6f |
| Source of Spectrum |
F-68-9586-41 |
| Synonyms |
methyl 4-chloranyl-3-nitro-5-propylsulfanyl-benzoate
methyl 4-chloro-3-nitro-5-propylsulfanylbenzoate |
| Wiley ID |
1573843 |
