![Isopropyl-[2-(phenylthio)ethyl]amine](/api/spectrum/4BNTa8kpFY/structure.png?h=300&w=458 "Isopropyl-[2-(phenylthio)ethyl]amine")
| SpectraBase Compound ID | KngJfsPjSCX |
|---|---|
| InChI | InChI=1S/C11H17NS/c1-10(2)12-8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 |
| InChIKey | KANQDWOEYFTAOB-UHFFFAOYSA-N |
| Mol Weight | 195.32 g/mol |
| Molecular Formula | C11H17NS |
| Exact Mass | 195.108171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4BNTa8kpFY |
|---|---|
| Name | Isopropyl-[2-(phenylthio)ethyl]amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.108170725 u |
| Formula | C11H17NS |
| InChI | InChI=1S/C11H17NS/c1-10(2)12-8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 |
| InChIKey | KANQDWOEYFTAOB-UHFFFAOYSA-N |
| Molecular Weight | 195.324 g/mol |
| SMILES | C1(SCCNC(C)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86225 |