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Propanoic acid, 2,2-dimethyl-, 2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-yl ester, [2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.)]-
SpectraBase Compound ID 8p357JeSQgQ
InChI InChI=1S/C14H18N2O6/c1-14(2,3)12(19)21-9-7(6-17)20-11-10(9)22-13-15-8(18)4-5-16(11)13/h4-5,7,9-11,17H,6H2,1-3H3
InChIKey LZSHBLSRUUGWQP-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C14H18N2O6
Exact Mass 310.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59vXdCg4e2H
Name Propanoic acid, 2,2-dimethyl-, 2,3,3A,9A-tetrahydro-2-(hydroxymethyl)-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-A]pyrimidin-3-yl ester, [2R-(2.alpha.,3.beta.,3A.beta.,9A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.116486302 u
Formula C14H18N2O6
InChI InChI=1S/C14H18N2O6/c1-14(2,3)12(19)21-9-7(6-17)20-11-10(9)22-13-15-8(18)4-5-16(11)13/h4-5,7,9-11,17H,6H2,1-3H3
InChIKey LZSHBLSRUUGWQP-UHFFFAOYSA-N
Molecular Weight 310.306 g/mol
SMILES C12C(C(OC(=O)C(C)(C)C)C(O2)CO)OC=2N1C=CC(N2)=O