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3-(Hydroxymethyl)-5-methoxy-1-methyl-2-(2-naphthalenyl)indole-4,7-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(Hydroxymethyl)-5-methoxy-1-methyl-2-(2-naphthalenyl)indole-4,7-dione
SpectraBase Compound ID 1kJc01iwT1Y
InChI InChI=1S/C21H17NO4/c1-22-19(14-8-7-12-5-3-4-6-13(12)9-14)15(11-23)18-20(22)16(24)10-17(26-2)21(18)25/h3-10,23H,11H2,1-2H3
InChIKey MDCQDYDPOCNIET-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C21H17NO4
Exact Mass 347.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRUSseSKIZ3
Name 3-(Hydroxymethyl)-5-methoxy-1-methyl-2-(2-naphthalenyl)indole-4,7-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.115758027 u
Formula C21H17NO4
InChI InChI=1S/C21H17NO4/c1-22-19(14-8-7-12-5-3-4-6-13(12)9-14)15(11-23)18-20(22)16(24)10-17(26-2)21(18)25/h3-10,23H,11H2,1-2H3
InChIKey MDCQDYDPOCNIET-UHFFFAOYSA-N
Molecular Weight 347.370 g/mol
SMILES C=1(N(C=2C(C=C(C(C2C1CO)=O)OC)=O)C)C=1C=C2C(=CC1)C=CC=C2