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(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

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(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
SpectraBase Compound ID 657sE724jJh
InChI InChI=1S/C21H29NO4/c1-21(2)10-17(23)19-15(13-25-18(19)11-21)20(24)26-12-14-6-5-9-22-8-4-3-7-16(14)22/h13-14,16H,3-12H2,1-2H3
InChIKey AOSJXLNQRXKINT-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FECwglbV9Hr
Name (1R,9ar)-Octahydro-2H-quinolizin-1-ylmethyl 6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.209658414 u
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-21(2)10-17(23)19-15(13-25-18(19)11-21)20(24)26-12-14-6-5-9-22-8-4-3-7-16(14)22/h13-14,16H,3-12H2,1-2H3
InChIKey AOSJXLNQRXKINT-UHFFFAOYSA-N
Molecular Weight 359.466 g/mol
SMILES C1=2C(=COC2CC(CC1=O)(C)C)C(OCC1C2N(CCCC2)CCC1)=O