| SpectraBase Spectrum ID |
7iH3m23bXW5 |
| Name |
2-Isopropyl-4-methyl-3-phenyl-isocarbostyril |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.146664235 u |
| Formula |
C19H19NO |
| InChI |
InChI=1S/C19H19NO/c1-13(2)20-18(15-9-5-4-6-10-15)14(3)16-11-7-8-12-17(16)19(20)21/h4-13H,1-3H3 |
| InChIKey |
PSKYVDVVGYILSA-UHFFFAOYSA-N |
| Molecular Weight |
277.367 g/mol |
| SMILES |
C=1(N(C(C2=C(C1C)C=CC=C2)=O)C(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927492 |
