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1H-Indole-3-carboxylic acid, 2-(2-hydroxy-2-phenylethyl)-5-methoxy-1-methyl-, ethyl ester
SpectraBase Compound ID CsDoSdKTkCI
InChI InChI=1S/C21H23NO4/c1-4-26-21(24)20-16-12-15(25-3)10-11-17(16)22(2)18(20)13-19(23)14-8-6-5-7-9-14/h5-12,19,23H,4,13H2,1-3H3
InChIKey NGPXAPWEWTZRKS-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eCrqiHJNBb
Name 1H-Indole-3-carboxylic acid, 2-(2-hydroxy-2-phenylethyl)-5-methoxy-1-methyl-, ethyl ester
CAS Registry Number 122946-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-4-26-21(24)20-16-12-15(25-3)10-11-17(16)22(2)18(20)13-19(23)14-8-6-5-7-9-14/h5-12,19,23H,4,13H2,1-3H3
InChIKey NGPXAPWEWTZRKS-UHFFFAOYSA-N
Molecular Weight 353.418 g/mol
SMILES OC(Cc1c(c2c(ccc(c2)OC)[n]1C)C(=O)OCC)c1ccccc1
SPLASH splash10-002b-1190000000-0c3e22be95d15857f848
Source of Spectrum J-54-4790-4
Synonyms Ethyl 2-(2-hydroxy-2-phenylethyl)-5-methoxy-1-methyl-1H-indole-3-carboxylate Ethyl 2-(2-hydroxy-2-phenylethyl)-5-methoxyindole-3-carboxylate
Wiley ID 1344033