| SpectraBase Compound ID | 3KXx89POQT2 |
|---|---|
| InChI | InChI=1S/C15H17N3/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15/h1-2,5-6,14,17-18H,3-4,7-8,10H2 |
| InChIKey | JVGBCWFSPOXPFA-UHFFFAOYSA-N |
| Mol Weight | 239.32 g/mol |
| Molecular Formula | C15H17N3 |
| Exact Mass | 239.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | d327PTWxLl |
|---|---|
| Name | 4-(2',3',4',9'-Tetrahydro-1H-.beta.-carbolin-1'-yl)-butyronitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.142247559 u |
| Formula | C15H17N3 |
| InChI | InChI=1S/C15H17N3/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15/h1-2,5-6,14,17-18H,3-4,7-8,10H2 |
| InChIKey | JVGBCWFSPOXPFA-UHFFFAOYSA-N |
| Molecular Weight | 239.322 g/mol |
| SMILES | C1=2NC=3C=CC=CC3C2CCNC1CCCC#N |