| SpectraBase Spectrum ID |
4aNqw2bobfF |
| Name |
1,3-bis-(5-Benzoyloxypentyl)-thymine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.241686817 u |
| Formula |
C29H34N2O6 |
| InChI |
InChI=1S/C29H34N2O6/c1-23-22-30(18-10-4-12-20-36-27(33)24-14-6-2-7-15-24)29(35)31(26(23)32)19-11-5-13-21-37-28(34)25-16-8-3-9-17-25/h2-3,6-9,14-17,22H,4-5,10-13,18-21H2,1H3 |
| InChIKey |
DRAJTYZQBXVDFI-UHFFFAOYSA-N |
| Molecular Weight |
506.599 g/mol |
| SMILES |
C(N1C(=O)C(C)=CN(CCCCCOC(=O)C2=CC=CC=C2)C1=O)CCCCOC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875259 |
