| SpectraBase Spectrum ID |
LGon7FzsaPW |
| Name |
2-(2-Chloroethyl)-1,6,7,11B-tetrahydro-3,7.alpha.-diphenyl-2H-pyrimido[6.1-A]isoquinolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.165541132 u |
| Formula |
C26H25ClN2O |
| InChI |
InChI=1S/C26H25ClN2O/c27-16-15-21-17-25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19)18-28(25)26(30)29(21)20-11-5-2-6-12-20/h1-14,21,24-25H,15-18H2/t21?,24-,25?/m1/s1 |
| InChIKey |
AWMSJWGHOPXQFO-OOAAYMRMSA-N |
| Molecular Weight |
416.952 g/mol |
| SMILES |
C1(N2C(C3=CC=CC=C3[C@](C2)(C=2C=CC=CC2)[H])CC(N1C1=CC=CC=C1)CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921058 |
![2-(2-Chloroethyl)-1,6,7,11b-tetrahydro-3,7.alpha.-diphenyl-2H-pyrimido[6.1-a]isoquinolin-4(3H)-one](/api/spectrum/LGon7FzsaPW/structure.png?h=300&w=458 "2-(2-Chloroethyl)-1,6,7,11b-tetrahydro-3,7.alpha.-diphenyl-2H-pyrimido[6.1-a]isoquinolin-4(3H)-one")
