SpectraBase Compound ID | J0Rp9uEaiPf |
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InChI | InChI=1S/C10H14N2O/c1-7-4-5-8(2)9(6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13) |
InChIKey | HUWFNTOXRAJSQI-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C10H14N2O |
Exact Mass | 178.110613 g/mol |
SpectraBase Spectrum ID | 8kqbc5AreOQ |
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Name | 1-Methyl-3-(2,5-xylyl)urea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.110613078 u |
Formula | C10H14N2O |
InChI | InChI=1S/C10H14N2O/c1-7-4-5-8(2)9(6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13) |
InChIKey | HUWFNTOXRAJSQI-UHFFFAOYSA-N |
Molecular Weight | 178.235 g/mol |
SMILES | N(C(=O)NC)C1=CC(=CC=C1C)C |
Spectrum/Structure Validation Score (Raman) | 0.912059 |