| SpectraBase Spectrum ID |
3nQ7Knkxv82 |
| Name |
1-Benzyl-6-tert-butyl-3-butylpyrimidine-2,4(1H,3H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.199428083 u |
| Formula |
C19H26N2O2 |
| InChI |
InChI=1S/C19H26N2O2/c1-5-6-12-21-17(22)15(13-14-10-8-7-9-11-14)16(19(2,3)4)20-18(21)23/h7-11H,5-6,12-13H2,1-4H3,(H,20,23) |
| InChIKey |
YMIHGTLHASNHOE-UHFFFAOYSA-N |
| Molecular Weight |
314.429 g/mol |
| SMILES |
C1(N(C(C(=C(N1)C(C)(C)C)CC=1C=CC=CC1)=O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878208 |
