| SpectraBase Compound ID | JZ7uxGrzaVf |
|---|---|
| InChI | InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12) |
| InChIKey | UBBIDOUCHSVOFY-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C9H20N2O |
| Exact Mass | 172.157563 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EdnaVw4BCnh |
|---|---|
| Name | Urea, octyl- |
| 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/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12) |
| InChIKey | UBBIDOUCHSVOFY-UHFFFAOYSA-N |
| SMILES | N(CCCCCCCC)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.995381 |