| SpectraBase Spectrum ID |
9P1LH5e0pD |
| Name |
Trans-1-benzyl-3,5-dimethyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.177964364 u |
| Formula |
C18H23NO |
| InChI |
InChI=1S/C18H23NO/c1-14-12-18(2)11-7-6-10-16(18)19(17(14)20)13-15-8-4-3-5-9-15/h3-5,8-10,14H,6-7,11-13H2,1-2H3/t14-,18+/m0/s1 |
| InChIKey |
WTQNVBXBDTYFQS-KBXCAEBGSA-N |
| SMILES |
C=12N(C([C@](C[C@@]2(C)CCCC1)(C)[H])=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801684 |
