| SpectraBase Spectrum ID |
LuuHV47T4p5 |
| Name |
Pentanenitrile, 4-hydroxy-5-[(4-methylphenyl)thio]- |
| Alternate Name(s) |
4-Hydroxy-5-(4-methylphenylthio)pentanenitrile
4-Hydroxy-5-p-tolylthiopentanenitrile
4-hydroxy-5-[(4-methylphenyl)sulfanyl]pentanenitrile |
| CAS Registry Number |
108078-53-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NOS |
| InChI |
InChI=1S/C12H15NOS/c1-10-4-6-12(7-5-10)15-9-11(14)3-2-8-13/h4-7,11,14H,2-3,9H2,1H3 |
| InChIKey |
XRHFRVZMSWHFHI-UHFFFAOYSA-N |
| Molecular Weight |
221.318 g/mol |
| SMILES |
OC(CSc1ccc(cc1)C)CCC#N |
| SPLASH |
splash10-000i-0940000000-dbbe327ec39c73349791 |
| Source of Spectrum |
KC-1988-2527-24 |
| Wiley ID |
1221213 |
![Pentanenitrile, 4-hydroxy-5-[(4-methylphenyl)thio]-](/api/spectrum/LuuHV47T4p5/structure.png?h=300&w=458 "Pentanenitrile, 4-hydroxy-5-[(4-methylphenyl)thio]-")
