| SpectraBase Compound ID | QLXS93rYJO |
|---|---|
| InChI | InChI=1S/C18H23N3O3/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24) |
| InChIKey | ZTYRCJNTGWMELW-UHFFFAOYSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C18H23N3O3 |
| Exact Mass | 329.173942 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CVOMrEwwdJz |
|---|---|
| Name | 5-Ethyl-5-phenyl-1-(piperidinomethyl)barbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.173941610 u |
| Formula | C18H23N3O3 |
| InChI | InChI=1S/C18H23N3O3/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24) |
| InChIKey | ZTYRCJNTGWMELW-UHFFFAOYSA-N |
| Molecular Weight | 329.400 g/mol |
| SMILES | N1C(N(C(C(C1=O)(C1=CC=CC=C1)CC)=O)CN1CCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.940087 |