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2H-indol-2-one, 3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1,3-dihydro-3-hydroxy-1-(2-propynyl)-
SpectraBase Compound ID DcVRzbr5dLj
InChI InChI=1S/C21H20N2O3/c1-4-13-23-18-8-6-5-7-17(18)21(26,20(23)25)14-19(24)15-9-11-16(12-10-15)22(2)3/h1,5-12,26H,13-14H2,2-3H3
InChIKey JKKVVFMPJRZDMD-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eTjP5MvXuw
Name 2H-Indol-2-one, 3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1,3-dihydro-3-hydroxy-1-(2-propynyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.147392509 u
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-4-13-23-18-8-6-5-7-17(18)21(26,20(23)25)14-19(24)15-9-11-16(12-10-15)22(2)3/h1,5-12,26H,13-14H2,2-3H3
InChIKey JKKVVFMPJRZDMD-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES OC1(C(N(CC#C)C2=C1C=CC=C2)=O)CC(C=1C=CC(=CC1)N(C)C)=O