| SpectraBase Spectrum ID |
2sVe2RM0Nsa |
| Name |
Ethyl 4-(3-bromophenyl)-1,2-dihydro-2-oxo-6-phenylpyrimidine-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.026605348 u |
| Formula |
C19H15BrN2O3 |
| InChI |
InChI=1S/C19H15BrN2O3/c1-2-25-18(23)15-16(12-7-4-3-5-8-12)21-19(24)22-17(15)13-9-6-10-14(20)11-13/h3-11H,2H2,1H3,(H,21,22,24) |
| InChIKey |
PMNWJOFDMJCOFY-UHFFFAOYSA-N |
| Molecular Weight |
399.244 g/mol |
| SMILES |
C=1(C(=NC(NC1C1=CC=CC=C1)=O)C=1C=C(Br)C=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936191 |
