![2-Butyl-6-phenylethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one](/api/spectrum/7QxquRDLa6o/structure.png?h=300&w=458 "2-Butyl-6-phenylethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one")
| SpectraBase Compound ID | FitFpbFlo9p |
|---|---|
| InChI | InChI=1S/C30H30N6O/c1-2-3-13-28-31-25(19-16-22-9-5-4-6-10-22)20-29(37)36(28)21-23-14-17-24(18-15-23)26-11-7-8-12-27(26)30-32-34-35-33-30/h4-12,14-15,17-18,20H,2-3,13,16,19,21H2,1H3,(H,32,33,34,35) |
| InChIKey | FTSUTGRZFKBBKQ-UHFFFAOYSA-N |
| Mol Weight | 490.61 g/mol |
| Molecular Formula | C30H30N6O |
| Exact Mass | 490.24811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QxquRDLa6o |
|---|---|
| Name | 2-Butyl-6-phenylethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.248109609 u |
| Formula | C30H30N6O |
| InChI | InChI=1S/C30H30N6O/c1-2-3-13-28-31-25(19-16-22-9-5-4-6-10-22)20-29(37)36(28)21-23-14-17-24(18-15-23)26-11-7-8-12-27(26)30-32-34-35-33-30/h4-12,14-15,17-18,20H,2-3,13,16,19,21H2,1H3,(H,32,33,34,35) |
| InChIKey | FTSUTGRZFKBBKQ-UHFFFAOYSA-N |
| Molecular Weight | 490.611 g/mol |
| SMILES | C1(N(C(=NC(=C1)CCC1=CC=CC=C1)CCCC)CC=1C=CC(C=2C(C3=NN=NN3)=CC=CC2)=CC1)=O |