![2-[(3-Phenylureido)methylene]heptanal](/api/spectrum/CuQ7xmgABFX/structure.png?h=300&w=458 "2-[(3-Phenylureido)methylene]heptanal")
| SpectraBase Compound ID | JPYAsoCwc55 |
|---|---|
| InChI | InChI=1S/C15H20N2O2/c1-2-3-5-8-13(12-18)11-16-15(19)17-14-9-6-4-7-10-14/h4,6-7,9-12H,2-3,5,8H2,1H3,(H2,16,17,19) |
| InChIKey | AVBHCPOSOLRNDK-UHFFFAOYSA-N |
| Mol Weight | 260.34 g/mol |
| Molecular Formula | C15H20N2O2 |
| Exact Mass | 260.152478 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CuQ7xmgABFX |
|---|---|
| Name | 2-[(3-Phenylureido)methylene]heptanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.152477890 u |
| Formula | C15H20N2O2 |
| InChI | InChI=1S/C15H20N2O2/c1-2-3-5-8-13(12-18)11-16-15(19)17-14-9-6-4-7-10-14/h4,6-7,9-12H,2-3,5,8H2,1H3,(H2,16,17,19) |
| InChIKey | AVBHCPOSOLRNDK-UHFFFAOYSA-N |
| Molecular Weight | 260.337 g/mol |
| SMILES | N(C1=CC=CC=C1)C(NC=C(CCCCC)C=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.853507 |