SpectraBase Spectrum ID |
CWNFP7T8Sko |
Name |
(S)-4-Methyl-1-((S)-1-phenyl-ethyl)-3,4,5,6-tetrahydro-1H-benzo[H]quinolin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.177964364 u |
Formula |
C22H23NO |
InChI |
InChI=1S/C22H23NO/c1-15-14-21(24)23(16(2)17-8-4-3-5-9-17)22-19(15)13-12-18-10-6-7-11-20(18)22/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1 |
InChIKey |
SNAMFZITNIPORS-HOTGVXAUSA-N |
Molecular Weight |
317.432 g/mol |
SMILES |
C1=2N(C(C[C@@](C2CCC=2C1=CC=CC2)(C)[H])=O)[C@](C1=CC=CC=C1)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854351 |