![Thiourea, [4-(dimethylamino)phenyl]-](/api/spectrum/LoU4Iy5ABOp/structure.png?h=300&w=458 "Thiourea, [4-(dimethylamino)phenyl]-")
| SpectraBase Compound ID | KJMrjhWXSIc |
|---|---|
| InChI | InChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13) |
| InChIKey | IETJMRDFWVXWMR-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C9H13N3S |
| Exact Mass | 195.083019 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LoU4Iy5ABOp |
|---|---|
| Name | Thiourea, [4-(dimethylamino)phenyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.083018605 u |
| Formula | C9H13N3S |
| InChI | InChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13) |
| InChIKey | IETJMRDFWVXWMR-UHFFFAOYSA-N |
| Molecular Weight | 195.284 g/mol |
| SMILES | C1=C(C=CC(=C1)N(C)C)NC(=S)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917451 |