| SpectraBase Compound ID | ILrB5qukyDb |
|---|---|
| InChI | InChI=1S/C13H15NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,14H2 |
| InChIKey | YSIYYYWNPCHYKN-UHFFFAOYSA-N |
| Mol Weight | 217.33 g/mol |
| Molecular Formula | C13H15NS |
| Exact Mass | 217.092521 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8coceQPI0kA |
|---|---|
| Name | 2-(1-Naphthalenylmethylthio)ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.092520661 u |
| Formula | C13H15NS |
| InChI | InChI=1S/C13H15NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,14H2 |
| InChIKey | YSIYYYWNPCHYKN-UHFFFAOYSA-N |
| Molecular Weight | 217.330 g/mol |
| SMILES | C12=C(CSCCN)C=CC=C2C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954097 |