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1H-indole-1-acetic acid, 2,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-oxo-, ethyl ester
SpectraBase Compound ID 4FuhFxodiAi
InChI InChI=1S/C21H21NO6/c1-3-28-19(24)13-22-17-7-5-4-6-16(17)21(26,20(22)25)12-18(23)14-8-10-15(27-2)11-9-14/h4-11,26H,3,12-13H2,1-2H3
InChIKey XWCLOXFCMADTHF-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPLycb0mTb1
Name 1H-Indole-1-acetic acid, 2,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-oxo-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.136887394 u
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-3-28-19(24)13-22-17-7-5-4-6-16(17)21(26,20(22)25)12-18(23)14-8-10-15(27-2)11-9-14/h4-11,26H,3,12-13H2,1-2H3
InChIKey XWCLOXFCMADTHF-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES OC1(C(N(C2=C1C=CC=C2)CC(=O)OCC)=O)CC(C1=CC=C(C=C1)OC)=O