| SpectraBase Compound ID | 2ReS8r5uwVa |
|---|---|
| InChI | InChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 |
| InChIKey | SBMPBXFNKYJNIC-UHFFFAOYSA-N |
| Mol Weight | 153.24 g/mol |
| Molecular Formula | C8H11NS |
| Exact Mass | 153.061221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EcGbpYV1mt |
|---|---|
| Name | 4-(Methylthio)benzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.061220532 u |
| Formula | C8H11NS |
| InChI | InChI=1S/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 |
| InChIKey | SBMPBXFNKYJNIC-UHFFFAOYSA-N |
| Molecular Weight | 153.243 g/mol |
| SMILES | CSC1=CC=C(C=C1)CN |