SpectraBase Compound ID | Eh6nkBtSbtR |
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InChI | InChI=1S/C12H14N2O5/c1-17-7-5-9(19-3)8(18-2)4-6(7)10-11(15)14-12(16)13-10/h4-5,10H,1-3H3,(H2,13,14,15,16) |
InChIKey | JQNHLAMCNYRONY-UHFFFAOYSA-N |
Mol Weight | 266.25 g/mol |
Molecular Formula | C12H14N2O5 |
Exact Mass | 266.090272 g/mol |
SpectraBase Spectrum ID | 4acGJ9gZd1U |
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Name | 5-(2,4,5-Trimethoxyphenyl)hydantoin |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 266.090271554 u |
Formula | C12H14N2O5 |
InChI | InChI=1S/C12H14N2O5/c1-17-7-5-9(19-3)8(18-2)4-6(7)10-11(15)14-12(16)13-10/h4-5,10H,1-3H3,(H2,13,14,15,16) |
InChIKey | JQNHLAMCNYRONY-UHFFFAOYSA-N |
SMILES | N1C(C(NC1=O)C1=C(C=C(C(=C1)OC)OC)OC)=O |
Spectrum/Structure Validation Score (Raman) | 0.986388 |