| SpectraBase Compound ID | CRna6e2nqOm |
|---|---|
| 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 |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYRGzX1xeeK |
|---|---|
| Name | 3-Methyl-3-(3-(methoxycarbonyl)butyl)indol-2(3H)-one isomer |
| Comments | Computed using HOSE algorithm |
| 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 |