| SpectraBase Spectrum ID |
GwPOsbcgmju |
| Name |
3-Methyl-3-(2-phenylcarbamoylallyl)-2,3-dihydroindole-1,5-carboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.168521876 u |
| Formula |
C23H24N2O5 |
| InChI |
InChI=1S/C23H24N2O5/c1-15(20(26)24-17-8-6-5-7-9-17)13-23(2)14-25(22(28)30-4)19-11-10-16(12-18(19)23)21(27)29-3/h5-12H,1,13-14H2,2-4H3,(H,24,26) |
| InChIKey |
KHKWXORBAQHOEH-UHFFFAOYSA-N |
| Molecular Weight |
408.454 g/mol |
| SMILES |
C1=2N(CC(C2C=C(C=C1)C(=O)OC)(CC(C(NC1=CC=CC=C1)=O)=C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975865 |
