| SpectraBase Spectrum ID |
GKJ4pm6HwwQ |
| Name |
cis-4-(2-Oxoazepan-1-yl)-2-phenyl-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 |
320.188863400 u |
| Formula |
C21H24N2O |
| InChI |
InChI=1S/C21H24N2O/c24-21-13-5-2-8-14-23(21)20-15-19(16-9-3-1-4-10-16)22-18-12-7-6-11-17(18)20/h1,3-4,6-7,9-12,19-20,22H,2,5,8,13-15H2/t19-,20-/m0/s1 |
| InChIKey |
JYTMFVQSKFKFCK-PMACEKPBSA-N |
| Molecular Weight |
320.436 g/mol |
| SMILES |
[C@]1(N2C(=O)CCCCC2)(C2=C(C=CC=C2)N[C@@](C1)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955516 |
