| SpectraBase Spectrum ID |
KjLvdPryVeP |
| Name |
Methyl 4-[(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]benzoate |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.121965604 u |
| Formula |
C21H20N2O8 |
| InChI |
InChI=1S/C21H20N2O8/c1-10-9-13(24)15(20(28)31-10)14(11-5-7-12(8-6-11)19(27)30-4)16-17(25)22(2)21(29)23(3)18(16)26/h5-9,14,16,24H,1-4H3 |
| InChIKey |
IMDVFLWKKYBGLL-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS-30 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4609 |
| Molecular Weight |
428.397 g/mol |
| Quality |
220 |
| SMILES |
OC1=C(C(C2=CC=C(C=C2)C(=O)OC)C2C(N(C(N(C2=O)C)=O)C)=O)C(OC(=C1)C)=O |
| SPLASH |
splash10-0bvu-6590300000-96f4d6a4108b2c2957f6 |
| Source of Spectrum |
Y-60-583-2j (DOI: 10.1002/jhet.4609) |
| Wiley ID |
1894524 |
![Methyl 4-[(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]benzoate](/api/spectrum/KjLvdPryVeP/structure.png?h=300&w=458 "Methyl 4-[(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]benzoate")
