| SpectraBase Compound ID | BxKYWAwwXqN |
|---|---|
| InChI | InChI=1S/C9H20N2O/c1-5-6-7-10-8(12)11-9(2,3)4/h5-7H2,1-4H3,(H2,10,11,12) |
| InChIKey | JVFYIHDPCVAXIO-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C9H20N2O |
| Exact Mass | 172.157563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | COC0ZFMtzHc |
|---|---|
| Name | N-Butyl-N'-tert.-butylurea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.157563271 u |
| Formula | C9H20N2O |
| InChI | InChI=1S/C9H20N2O/c1-5-6-7-10-8(12)11-9(2,3)4/h5-7H2,1-4H3,(H2,10,11,12) |
| InChIKey | JVFYIHDPCVAXIO-UHFFFAOYSA-N |
| Molecular Weight | 172.272 g/mol |
| SMILES | C(=O)(NC(C)(C)C)NCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9736 |