| SpectraBase Compound ID | 6pEQf7ZaQRC |
|---|---|
| InChI | InChI=1S/C13H17N/c1-3-11(4-2)13(10-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4H2,1-2H3/t13-/m0/s1 |
| InChIKey | CXZNRQOQUWOBDJ-ZDUSSCGKSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KexFaJ1VC9n |
|---|---|
| Name | (S)-3-Ethyl-2-phenylpentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-3-11(4-2)13(10-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4H2,1-2H3/t13-/m0/s1 |
| InChIKey | CXZNRQOQUWOBDJ-ZDUSSCGKSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C([C@@](C(CC)CC)(C1=CC=CC=C1)[H])#N |