![2-[(4-Bromophenyl)thio]ethanamine, N-acetyl-](/api/spectrum/IYCM19NqUn1/structure.png?h=300&w=458 "2-[(4-Bromophenyl)thio]ethanamine, N-acetyl-")
| SpectraBase Compound ID | 9EoCJF0czxv |
|---|---|
| InChI | InChI=1S/C10H12BrNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | DTVJETATYGMFJB-UHFFFAOYSA-N |
| Mol Weight | 274.18 g/mol |
| Molecular Formula | C10H12BrNOS |
| Exact Mass | 272.982298 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IYCM19NqUn1 |
|---|---|
| Name | 2-[(4-Bromophenyl)thio]ethanamine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.982298183 u |
| Formula | C10H12BrNOS |
| InChI | InChI=1S/C10H12BrNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | DTVJETATYGMFJB-UHFFFAOYSA-N |
| SMILES | C(SC1=CC=C(C=C1)Br)CNC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933635 |