| SpectraBase Spectrum ID |
9LfdFsnlNR2 |
| Name |
Tert-butyl 7-(2-formyl-4,5-dimethoxyphenyl)-2,3-dihydroindole-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.173272904 u |
| Formula |
C22H25NO5 |
| InChI |
InChI=1S/C22H25NO5/c1-22(2,3)28-21(25)23-10-9-14-7-6-8-16(20(14)23)17-12-19(27-5)18(26-4)11-15(17)13-24/h6-8,11-13H,9-10H2,1-5H3 |
| InChIKey |
BEDXEOKODZCPTR-UHFFFAOYSA-N |
| Molecular Weight |
383.444 g/mol |
| SMILES |
C(N1C=2C(C3=CC(OC)=C(C=C3C=O)OC)=CC=CC2CC1)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883674 |
