| SpectraBase Spectrum ID |
I8okkqZB1yn |
| Name |
2-({3-[4-(Hydroxydiphenylmethyl)piperidin-1-yl]propyl}amino)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.246712629 u |
| Formula |
C28H31N3O |
| InChI |
InChI=1S/C28H31N3O/c29-22-23-10-7-8-15-27(23)30-18-9-19-31-20-16-26(17-21-31)28(32,24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-8,10-15,26,30,32H,9,16-21H2 |
| InChIKey |
NXJVLEGRICQRSW-UHFFFAOYSA-N |
| Molecular Weight |
425.576 g/mol |
| SMILES |
C(C1=C(C=CC=C1)NCCCN1CCC(CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831663 |
![2-({3-[4-(Hydroxydiphenylmethyl)piperidin-1-yl]propyl}amino)benzonitrile](/api/spectrum/I8okkqZB1yn/structure.png?h=300&w=458 "2-({3-[4-(Hydroxydiphenylmethyl)piperidin-1-yl]propyl}amino)benzonitrile")
