| SpectraBase Compound ID | 9O5oe0thuQS |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-2-5-12(14)15-11-8-13-10-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3 |
| InChIKey | DPUSLOQBAPOARC-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69QSCvuhRVP |
|---|---|
| Name | Butanoic acid, 1H-indol-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-2-5-12(14)15-11-8-13-10-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3 |
| InChIKey | DPUSLOQBAPOARC-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1=CC=CC2=C1C(OC(CCC)=O)=CN2 |