| SpectraBase Compound ID | ISWAWqcQGod |
|---|---|
| InChI | InChI=1S/C13H18N2/c1-2-3-7-10-15(12-14)11-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-11H2,1H3 |
| InChIKey | ZCHLBYYADHLJLT-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C13H18N2 |
| Exact Mass | 202.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21Gi3vJojTO |
|---|---|
| Name | Benzylpentylcyannamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.146998588 u |
| Formula | C13H18N2 |
| InChI | InChI=1S/C13H18N2/c1-2-3-7-10-15(12-14)11-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-11H2,1H3 |
| InChIKey | ZCHLBYYADHLJLT-UHFFFAOYSA-N |
| Molecular Weight | 202.301 g/mol |
| SMILES | C(#N)N(CC1=CC=CC=C1)CCCCC |