| SpectraBase Compound ID | BcjSOq9o03K |
|---|---|
| InChI | InChI=1S/C16H23N3.H2O/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15;/h3-7,14,18H,8-12H2,1-2H3;1H2 |
| InChIKey | WSMUPEBGKQASBH-UHFFFAOYSA-N |
| Mol Weight | 275.396 g/mol |
| Molecular Formula | C16H25N3O |
| Exact Mass | 275.199762 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4llHUozEMZ |
|---|---|
| Name | 1-benzyl-4-(isopropylamino)isonipecotonitrile, hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H25N3O |
| InChI | InChI=1S/C16H23N3.H2O/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15;/h3-7,14,18H,8-12H2,1-2H3;1H2 |
| InChIKey | WSMUPEBGKQASBH-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 23551M |
| Solvent | DMSO-d6 |