| SpectraBase Spectrum ID |
A5QCCgO3tgV |
| Name |
2-Butyl-1-cinnamyl-1,2,3,4-tetrahydroquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.214349873 u |
| Formula |
C22H27N |
| InChI |
InChI=1S/C22H27N/c1-2-3-14-21-17-16-20-13-7-8-15-22(20)23(21)18-9-12-19-10-5-4-6-11-19/h4-13,15,21H,2-3,14,16-18H2,1H3/b12-9+ |
| InChIKey |
UYZKNTSYJXUJOS-FMIVXFBMSA-N |
| Molecular Weight |
305.465 g/mol |
| SMILES |
C1=CC=C2CCC(CCCC)N(C\C=C\C3=CC=CC=C3)C2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810278 |
