| SpectraBase Spectrum ID |
AxbxUk6vWJf |
| Name |
4-[difluoro-(methylthio)methoxy]benzoic acid propyl ester |
| Alternate Name(s) |
Propyl 4-[bis(fluoranyl)-methylsulfanyl-methoxy]benzoate
Propyl 4-[difluoro(methylsulfanyl)methoxy]benzoate |
| Comments |
Edited after expert review for DOP contamination - Original record with SpectrumID 775272 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14F2O3S |
| InChI |
InChI=1S/C12H14F2O3S/c1-3-8-16-11(15)9-4-6-10(7-5-9)17-12(13,14)18-2/h4-7H,3,8H2,1-2H3 |
| InChIKey |
YYSKYOVGFVSROB-UHFFFAOYSA-N |
| Molecular Weight |
276.298 g/mol |
| SMILES |
C(c1ccc(cc1)OC(SC)(F)F)(=O)OCCC |
| SPLASH |
splash10-00di-9120000000-d6785c2c95c38f7456da |
| Source of Spectrum |
AJ-73-481-4 |
| Wiley ID |
1821488 |
![4-[difluoro-(methylthio)methoxy]benzoic acid propyl ester](/api/spectrum/AxbxUk6vWJf/structure.png?h=300&w=458 "4-[difluoro-(methylthio)methoxy]benzoic acid propyl ester")
