| SpectraBase Spectrum ID |
CPSrpA4kZ6E |
| Name |
4-Hydroxyphenylacetonitrile |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
14191-95-8 |
| ChEBI ID |
16667 |
| Comments |
Saturated 4-Hydroxyphenylacetonitrile - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H7 N O |
| IUPAC Name |
2-(4-hydroxyphenyl)acetonitrile; 2-(4-hydroxyphenyl)ethanenitrile |
| InChI |
InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2 |
| InChIKey |
AYKYOOPFBCOXSL-UHFFFAOYSA-N |
| KEGG Compound ID |
C03766 |
| PubChem Compound ID |
26548 |
| SMILES |
C1=CC(=CC=C1CC#N)O |
| Source File Reference |
bmse000441 |
