Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
1H--1H correlation spectroscopy (1H-1H COSY)
(1S)-1-phenylethanol
Chemical Information
| InChI | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 |
|---|---|
| SMILES | C[C@@H](c1ccccc1)O |
| InChI Key | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
| Exact Mass | 122.164 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol1275 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:16346 | chebi |
| SS1 | rcsb_pdb |
| CHEMBL348446 | chembl |
| 7144 | surechembl |
| 443135 | pubchem |
| 2MIC4QLY2X | fdasrs |
| PD054520 | probes_and_drugs |
| GURZUQ | CCDC |
| 107796 | brenda |
| 215872 | brenda |
| 233218 | brenda |
| 37889 | brenda |
| 4333 | brenda |
| 49404 | brenda |
| 69661 | brenda |
| SS1 | pdbe |
| DTXSID4073259 | comptox |
| Molport-001-793-460 | molport |
| The data in this table is sourced from UniChem at EBI. | |