| SpectraBase Spectrum ID |
BNtEzeL5TfB |
| Name |
4-Isopropyl-2-(2-methoxyphenylethynyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.146664235 u |
| Formula |
C18H19NO |
| InChI |
InChI=1S/C18H19NO/c1-13(2)15-10-11-17(19)16(12-15)9-8-14-6-4-5-7-18(14)20-3/h4-7,10-13H,19H2,1-3H3 |
| InChIKey |
CZSGOVKRWSRHKI-UHFFFAOYSA-N |
| Molecular Weight |
265.356 g/mol |
| SMILES |
C=1(C=C(C#CC2=C(C=CC=C2)OC)C(N)=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919279 |
