| SpectraBase Compound ID | CDkHDv1Z46Q |
|---|---|
| InChI | InChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12) |
| InChIKey | GPHGNFGNYRBWAM-UHFFFAOYSA-N |
| Mol Weight | 164.21 g/mol |
| Molecular Formula | C9H12N2O |
| Exact Mass | 164.094963 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LkYeSfOR3f8 |
|---|---|
| Name | (3,4-Xylyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.094963013 u |
| Formula | C9H12N2O |
| InChI | InChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12) |
| InChIKey | GPHGNFGNYRBWAM-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=C(C=C1)C)C)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.978485 |