| SpectraBase Spectrum ID |
9tmz5x32L7J |
| Name |
2-[3-oxo-1-(4-Bromophenyl)-3-(p-anisyl)propyl]-malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.031690729 u |
| Formula |
C19H15BrN2O2 |
| InChI |
InChI=1S/C19H15BrN2O2/c1-24-17-8-4-14(5-9-17)19(23)10-18(15(11-21)12-22)13-2-6-16(20)7-3-13/h2-9,15,18H,10H2,1H3 |
| InChIKey |
XTCUXDCNVPBARF-UHFFFAOYSA-N |
| Molecular Weight |
383.245 g/mol |
| SMILES |
C(C(C#N)C(CC(C=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92831 |
![2-[3-Oxo-1-(4-bromophenyl)-3-(p-anisyl)propyl]-malononitrile](/api/spectrum/9tmz5x32L7J/structure.png?h=300&w=458 "2-[3-Oxo-1-(4-bromophenyl)-3-(p-anisyl)propyl]-malononitrile")
