| SpectraBase Spectrum ID |
L90p36qPwdZ |
| Name |
(+-)-3-benzoyl-1-{[(1rs,2sr)-trans-2-(2-hydroxyethyl)cyclopropyl]methyl}-5-methyl-1,2,3,4-tetrahydro-2,4-pyrimidinedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.142307128 u |
| Formula |
C18H20N2O4 |
| InChI |
InChI=1S/C18H20N2O4/c1-12-10-19(11-15-9-14(15)7-8-21)18(24)20(16(12)22)17(23)13-5-3-2-4-6-13/h2-6,10,14-15,21H,7-9,11H2,1H3/t14-,15+/m1/s1 |
| InChIKey |
PXUMFAGJLKMJOH-CABCVRRESA-N |
| Molecular Weight |
328.368 g/mol |
| SMILES |
C1(N(C(C(=CN1C[C@@]1(C[C@]1(CCO)[H])[H])C)=O)C(=O)C=1C=CC=CC1)=O |
![(+-)-3-Benzoyl-1-{[(1RS,2SR)-trans-2-(2-hydroxyethyl)cyclopropyl]methyl}-5-methyl-1,2,3,4-tetrahydro-2,4-pyrimidinedione](/api/spectrum/L90p36qPwdZ/structure.png?h=300&w=458 "(+-)-3-Benzoyl-1-{[(1RS,2SR)-trans-2-(2-hydroxyethyl)cyclopropyl]methyl}-5-methyl-1,2,3,4-tetrahydro-2,4-pyrimidinedione")
