| 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 |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GGbaCNihVpH |
|---|---|
| Name | 3-Indolebutyric acid |
| Copyright | Copyright © 2020-2024 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 |
| Ionization Type | EI-B |
| Molecular Weight | 203.241 g/mol |
| SMILES | [nH]1c2ccccc2c(CCCC(=O)O)c1 |
| SPLASH | splash10-001i-0920000000-4cfa9ed2ae4f508ac509 |
| Source of Spectrum | SRH-2022-4070-0 |
| Wiley ID | 1826269 |