| SpectraBase Compound ID | 1UC2S2T4Nc3 |
|---|---|
| InChI | InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3 |
| InChIKey | ZVAYUUUQOCPZCZ-UHFFFAOYSA-N |
| Mol Weight | 243.24 g/mol |
| Molecular Formula | C11H18NO3P |
| Exact Mass | 243.10243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6pyttM43m3q |
|---|---|
| Name | Diethyl-4-aminobenzylphosphonat |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.102430439 u |
| Formula | C11H18NO3P |
| InChI | InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3 |
| InChIKey | ZVAYUUUQOCPZCZ-UHFFFAOYSA-N |
| Molecular Weight | 243.243 g/mol |
| SMILES | C=1(N)C=CC(=CC1)CP(=O)(OCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.776756 |