| SpectraBase Compound ID | 5GaH1HgjHnP |
|---|---|
| InChI | InChI=1S/C7H12BrNOS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3 |
| InChIKey | OLSLGSHETIUUMQ-UHFFFAOYSA-N |
| Mol Weight | 238.14 g/mol |
| Molecular Formula | C7H12BrNOS |
| Exact Mass | 236.982298 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B1e6qAMIbq8 |
|---|---|
| Name | 4-(2-Bromopropionyl)thiomorpholine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.982298183 u |
| Formula | C7H12BrNOS |
| InChI | InChI=1S/C7H12BrNOS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3 |
| InChIKey | OLSLGSHETIUUMQ-UHFFFAOYSA-N |
| Molecular Weight | 238.143 g/mol |
| SMILES | C1N(CCSC1)C(C(C)Br)=O |
| Spectrum/Structure Validation Score (Raman) | 0.770513 |