| SpectraBase Compound ID | CZErPS6HVEW |
|---|---|
| InChI | InChI=1S/C9H20N2O/c1-7(2)5-10-9(12)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12) |
| InChIKey | IFIDZFJWVZBCCV-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 | D4xHTOOx47h |
|---|---|
| Name | 1,3-bis(2-Methylpropyl)urea |
| 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/c1-7(2)5-10-9(12)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12) |
| InChIKey | IFIDZFJWVZBCCV-UHFFFAOYSA-N |
| Molecular Weight | 172.272 g/mol |
| SMILES | C(NCC(C)C)(NCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841599 |