| SpectraBase Spectrum ID |
J2VYiXdiirb |
| Name |
(4as,5R)-5-(Phenylcarbonyl)-2,3,4,4A,5,6-hexahydro-1H-pyrido[1,2-A]quinolino-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.157563271 u |
| Formula |
C21H20N2O |
| InChI |
InChI=1S/C21H20N2O/c22-15-21(20(24)16-8-2-1-3-9-16)14-17-10-4-5-11-18(17)23-13-7-6-12-19(21)23/h1-5,8-11,19H,6-7,12-14H2/t19-,21-/m0/s1 |
| InChIKey |
WRCGVDLXQMPPGE-FPOVZHCZSA-N |
| Molecular Weight |
316.404 g/mol |
| SMILES |
[C@]1([C@]2(N(CCCC2)C=2C(C1)=CC=CC2)[H])(C(=O)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840195 |
![(4aS,5R)-5-(Phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile](/api/spectrum/J2VYiXdiirb/structure.png?h=300&w=458 "(4aS,5R)-5-(Phenylcarbonyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinolino-5-carbonitrile")
