| SpectraBase Compound ID | 1SEcCtlnGSq |
|---|---|
| InChI | InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) |
| InChIKey | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6NcfIQ6or6m |
|---|---|
| Name | 3-Indolebutyric acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 139157 |
| CAS Registry Number | 133-32-4 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) |
| InChIKey | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Observed nucleus | 1H |
| Purity | 98% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_1HNMR_001131 |