| SpectraBase Spectrum ID |
1AbPoGSNqW |
| Name |
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-6-methyl-2-oxo-, cycloheptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.189257321 u |
| Formula |
C20H26N2O4 |
| InChI |
InChI=1S/C20H26N2O4/c1-13-17(19(23)26-15-9-5-3-4-6-10-15)18(22-20(24)21-13)14-8-7-11-16(12-14)25-2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3,(H2,21,22,24) |
| InChIKey |
HTQBVQXIULWSQX-UHFFFAOYSA-N |
| Molecular Weight |
358.438 g/mol |
| SMILES |
N1C(NC(=C(C1C=1C=C(OC)C=CC1)C(OC1CCCCCC1)=O)C)=O |
