| SpectraBase Spectrum ID |
LL2sTjVd4d7 |
| Name |
Methyl 2-benzoyl-2-[2-(3-hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-4-pentenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.173272904 u |
| Formula |
C24H25NO5 |
| InChI |
InChI=1S/C24H25NO5/c1-4-14-23(22(28)30-3,20(26)17-10-6-5-7-11-17)15-16-24(29)18-12-8-9-13-19(18)25(2)21(24)27/h4-13,29H,1,14-16H2,2-3H3 |
| InChIKey |
BPGILBQAFGRMGT-UHFFFAOYSA-N |
| Molecular Weight |
407.466 g/mol |
| SMILES |
C(C(CC=C)(CCC1(C(N(C2=C1C=CC=C2)C)=O)O)C(C=1C=CC=CC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912755 |
![Methyl 2-benzoyl-2-[2-(3-hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-4-pentenoate](/api/spectrum/LL2sTjVd4d7/structure.png?h=300&w=458 "Methyl 2-benzoyl-2-[2-(3-hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-4-pentenoate")
