| SpectraBase Compound ID | CvHm7HVFICM |
|---|---|
| InChI | InChI=1S/C8H9BrN2S/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | AKOQJTGAEHJZSB-UHFFFAOYSA-N |
| Mol Weight | 245.14 g/mol |
| Molecular Formula | C8H9BrN2S |
| Exact Mass | 243.966982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19hLtcPcub3 |
|---|---|
| Name | N-(2-Bromophenyl)-N'-methylthiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.966982472 u |
| Formula | C8H9BrN2S |
| InChI | InChI=1S/C8H9BrN2S/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | AKOQJTGAEHJZSB-UHFFFAOYSA-N |
| Molecular Weight | 245.138 g/mol |
| SMILES | C(NC1=C(Br)C=CC=C1)(=S)NC |