| SpectraBase Compound ID | BHO5mH9QECV |
|---|---|
| InChI | InChI=1S/C14H14N2S/c15-8-7-11-10-4-1-2-5-12(10)16-14(11)13-6-3-9-17-13/h1-6,9,16H,7-8,15H2 |
| InChIKey | HTHIIIQAAPDMOM-UHFFFAOYSA-N |
| Mol Weight | 242.34 g/mol |
| Molecular Formula | C14H14N2S |
| Exact Mass | 242.08777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lz97mrTQuw |
|---|---|
| Name | Indole-3-ethanamine, 2-(2-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.087769633 u |
| Formula | C14H14N2S |
| InChI | InChI=1S/C14H14N2S/c15-8-7-11-10-4-1-2-5-12(10)16-14(11)13-6-3-9-17-13/h1-6,9,16H,7-8,15H2 |
| InChIKey | HTHIIIQAAPDMOM-UHFFFAOYSA-N |
| Molecular Weight | 242.340 g/mol |
| SMILES | C=1(NC=2C=CC=CC2C1CCN)C=1SC=CC1 |