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6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methylisoindolin-1-one

View entire compound with spectra: 1 NMR, and 1 FTIR

6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methylisoindolin-1-one
SpectraBase Compound ID CkIEq3EXICp
InChI InChI=1S/C15H21NO5/c1-8-11(21-7-12(17)15(2,3)19)5-9-10(13(8)20-4)6-16-14(9)18/h5,12,17,19H,6-7H2,1-4H3,(H,16,18)
InChIKey FWZSWYCCQVYQJG-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C15H21NO5
Exact Mass 295.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChLTTFZ1OYX
Name 6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methylisoindolin-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.141972775 u
Formula C15H21NO5
InChI InChI=1S/C15H21NO5/c1-8-11(21-7-12(17)15(2,3)19)5-9-10(13(8)20-4)6-16-14(9)18/h5,12,17,19H,6-7H2,1-4H3,(H,16,18)
InChIKey FWZSWYCCQVYQJG-UHFFFAOYSA-N
Molecular Weight 295.335 g/mol
SMILES C1(NCC2=C1C=C(C(=C2OC)C)OCC(C(O)(C)C)O)=O