| SpectraBase Compound ID | 5mDdPBEBbow |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-9(15)8-17-13(16)6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7,14H,6,8H2,1H3 |
| InChIKey | QMZJLJHQKHAYMZ-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjzlQHO0jJH |
|---|---|
| Name | 1H-Indole-3-acetic acid, 2-oxopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-9(15)8-17-13(16)6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7,14H,6,8H2,1H3 |
| InChIKey | QMZJLJHQKHAYMZ-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C12=C(C=CC=C2)C(CC(OCC(C)=O)=O)=CN1 |