| SpectraBase Spectrum ID |
5mtk7SnqabF |
| Name |
3-Methyl-3-(3-(methoxycarbonyl)butyl)indol-2(3H)-one isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.136493473 u |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-8-11-10-6-4-5-7-12(10)16-13(11)17/h4-7,11H,8-9H2,1-3H3,(H,16,17) |
| InChIKey |
MIRJCTGLPMUDPY-UHFFFAOYSA-N |
| Molecular Weight |
261.321 g/mol |
| SMILES |
C1(NC2=CC=CC=C2C1CCC(C(=O)OC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856036 |
