| SpectraBase Spectrum ID |
2uOrkdppORq |
| Name |
Pentanoic acid, [(4-cyanophenyl)thio]methyl ester |
| Alternate Name(s) |
(4-cyanophenylthio)methyl pentanoate
[(4-cyanophenyl)sulfanyl]methyl pentanoate |
| CAS Registry Number |
104803-84-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO2S |
| InChI |
InChI=1S/C13H15NO2S/c1-2-3-4-13(15)16-10-17-12-7-5-11(9-14)6-8-12/h5-8H,2-4,10H2,1H3 |
| InChIKey |
VDTUGSJBRXJASP-UHFFFAOYSA-N |
| Molecular Weight |
249.328 g/mol |
| SMILES |
C(#N)c1ccc(SCOC(=O)CCCC)cc1 |
| SPLASH |
splash10-000b-5900000000-edbd14069eae172df29f |
| Source of Spectrum |
B-39-86-5 |
| Wiley ID |
1252094 |
![Pentanoic acid, [(4-cyanophenyl)thio]methyl ester](/api/spectrum/2uOrkdppORq/structure.png?h=300&w=458 "Pentanoic acid, [(4-cyanophenyl)thio]methyl ester")
