![2-[(4-Bromophenyl)thio]ethanamine](/api/spectrum/Kd7QoJVVFBU/structure.png?h=300&w=458 "2-[(4-Bromophenyl)thio]ethanamine")
| SpectraBase Compound ID | FBKKQadztzC |
|---|---|
| InChI | InChI=1S/C8H10BrNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2 |
| InChIKey | ZVFKJMXTWOTCSR-UHFFFAOYSA-N |
| Mol Weight | 232.14 g/mol |
| Molecular Formula | C8H10BrNS |
| Exact Mass | 230.971733 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kd7QoJVVFBU |
|---|---|
| Name | 2-[(4-Bromophenyl)thio]ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.971733500 u |
| Formula | C8H10BrNS |
| InChI | InChI=1S/C8H10BrNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2 |
| InChIKey | ZVFKJMXTWOTCSR-UHFFFAOYSA-N |
| Molecular Weight | 232.139 g/mol |
| SMILES | C(SC1=CC=C(C=C1)Br)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857961 |