| SpectraBase Compound ID | Bv0y6DSxxNO |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-2-3-9-13(15,10-11-14)12-7-5-4-6-8-12/h4-8,15H,2-3,9-10H2,1H3 |
| InChIKey | FREDLEAJTIOCAC-UHFFFAOYSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2opzd4CckSK |
|---|---|
| Name | 3-Hydroxy-3-phenylheptanenitrile |
| CAS Registry Number | 138902-42-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c1-2-3-9-13(15,10-11-14)12-7-5-4-6-8-12/h4-8,15H,2-3,9-10H2,1H3 |
| InChIKey | FREDLEAJTIOCAC-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | OC(CC#N)(c1ccccc1)CCCC |
| SPLASH | splash10-0a4i-2900000000-61d2494d1ce752a317a5 |
| Source of Spectrum | K-125-912-18 |
| Wiley ID | 1201026 |