SpectraBase Spectrum ID |
4iihPe45ZEa |
Name |
1-(4-Isopropylbenzyl)-3-methylindolin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.162314299 u |
Formula |
C19H21NO |
InChI |
InChI=1S/C19H21NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19(20)21/h4-11,13-14H,12H2,1-3H3 |
InChIKey |
VGBRNBGNWLNGNH-UHFFFAOYSA-N |
SMILES |
C1(N(C2=C(C1C)C=CC=C2)CC1=CC=C(C=C1)C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815657 |