| SpectraBase Spectrum ID |
BcGKq9igqu4 |
| Name |
3-Allyl-3-(2,4-dimethoxyphenyl)-1-methylindolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-5-12-20(16-11-10-14(23-3)13-18(16)24-4)15-8-6-7-9-17(15)21(2)19(20)22/h5-11,13H,1,12H2,2-4H3 |
| InChIKey |
RLBXEPIBIGCKNA-UHFFFAOYSA-N |
| Molecular Weight |
323.392 g/mol |
| SMILES |
C1=2N(C(C(C2C=CC=C1)(C1=CC=C(C=C1OC)OC)CC=C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871355 |
