![4-[(Methylsulfanyl)methyl]aniline](/api/spectrum/3TaWtaHScSp/structure.png?h=300&w=458 "4-[(Methylsulfanyl)methyl]aniline")
| SpectraBase Compound ID | F5zuqRaL2FM |
|---|---|
| InChI | InChI=1S/C8H11NS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3 |
| InChIKey | VIZLWRXSTIBCDD-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 | 3TaWtaHScSp |
|---|---|
| Name | 4-[(Methylsulfanyl)methyl]aniline |
| 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/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3 |
| InChIKey | VIZLWRXSTIBCDD-UHFFFAOYSA-N |
| Molecular Weight | 153.243 g/mol |
| SMILES | C1(N)=CC=C(C=C1)CSC |