| SpectraBase Compound ID | Ka6RHeChlf4 |
|---|---|
| InChI | InChI=1S/C10H14N2S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13) |
| InChIKey | AGWZOAHAJCELJQ-UHFFFAOYSA-N |
| Mol Weight | 194.3 g/mol |
| Molecular Formula | C10H14N2S |
| Exact Mass | 194.08777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FxlPVL6TFUR |
|---|---|
| Name | N-(3-Phenylpropyl)thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.087769633 u |
| Formula | C10H14N2S |
| InChI | InChI=1S/C10H14N2S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13) |
| InChIKey | AGWZOAHAJCELJQ-UHFFFAOYSA-N |
| Molecular Weight | 194.296 g/mol |
| SMILES | C(NCCCC1=CC=CC=C1)(=S)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956038 |