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Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5'-hydroxy-6'-methoxy-1'-methyl-, (R)-

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Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5'-hydroxy-6'-methoxy-1'-methyl-, (R)-
SpectraBase Compound ID 69KeHVRDEiI
InChI InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(21)17(22-2)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3
InChIKey YLOJOYVVROBKHA-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2GfhnS0ATP
Name Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'A-tetrahydro-5'-hydroxy-6'-methoxy-1'-methyl-, (R)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(21)17(22-2)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3
InChIKey YLOJOYVVROBKHA-UHFFFAOYSA-N
SMILES COC1=C2C3(C[C@@]4(C2=C(C=C1O)CCN4C)[H])C=CC(C=C3)=O