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1H-indole-1-acetic acid, 3-[2-(4-ethylphenyl)-2-oxoethyl]-2,3-dihydro-3-hydroxy-2-oxo-, ethyl ester
SpectraBase Compound ID 7yu8zXAuU14
InChI InChI=1S/C22H23NO5/c1-3-15-9-11-16(12-10-15)19(24)13-22(27)17-7-5-6-8-18(17)23(21(22)26)14-20(25)28-4-2/h5-12,27H,3-4,13-14H2,1-2H3
InChIKey HUDGGRLXPMQYLD-UHFFFAOYSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3SZNqgQ4d0
Name 1H-Indole-1-acetic acid, 3-[2-(4-ethylphenyl)-2-oxoethyl]-2,3-dihydro-3-hydroxy-2-oxo-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.157622840 u
Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-3-15-9-11-16(12-10-15)19(24)13-22(27)17-7-5-6-8-18(17)23(21(22)26)14-20(25)28-4-2/h5-12,27H,3-4,13-14H2,1-2H3
InChIKey HUDGGRLXPMQYLD-UHFFFAOYSA-N
Molecular Weight 381.428 g/mol
SMILES OC1(C(N(C2=C1C=CC=C2)CC(=O)OCC)=O)CC(C1=CC=C(C=C1)CC)=O