| SpectraBase Spectrum ID |
2QroSF6FD1j |
| Name |
alpha-sec-Butyl-alpha-(3-piperidinopropyl)-1-naphthaleneacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.256549038 u |
| Formula |
C24H32N2 |
| InChI |
InChI=1S/C24H32N2/c1-3-20(2)24(19-25,15-10-18-26-16-7-4-8-17-26)23-14-9-12-21-11-5-6-13-22(21)23/h5-6,9,11-14,20H,3-4,7-8,10,15-18H2,1-2H3 |
| InChIKey |
BCOHMYDLKFHQDO-UHFFFAOYSA-N |
| Molecular Weight |
348.534 g/mol |
| SMILES |
CC(C(C1=CC=CC2=C1C=CC=C2)(CCCN1CCCCC1)C#N)CC |
| Spectrum/Structure Validation Score (Raman) |
0.844025 |
