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1H-Indole-4-acetic acid, 3-methyl-.alpha.-oxo-7-(phenylmethoxy)-1-(phenylsulfonyl)-, ethyl ester
SpectraBase Compound ID BhrC9E0hyq8
InChI InChI=1S/C26H23NO6S/c1-3-32-26(29)25(28)21-14-15-22(33-17-19-10-6-4-7-11-19)24-23(21)18(2)16-27(24)34(30,31)20-12-8-5-9-13-20/h4-16H,3,17H2,1-2H3
InChIKey GWZIXNZDIKGPPU-UHFFFAOYSA-N
Mol Weight 477.53 g/mol
Molecular Formula C26H23NO6S
Exact Mass 477.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJfKY3olp7J
Name 1H-Indole-4-acetic acid, 3-methyl-.alpha.-oxo-7-(phenylmethoxy)-1-(phenylsulfonyl)-, ethyl ester
CAS Registry Number 105805-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO6S
InChI InChI=1S/C26H23NO6S/c1-3-32-26(29)25(28)21-14-15-22(33-17-19-10-6-4-7-11-19)24-23(21)18(2)16-27(24)34(30,31)20-12-8-5-9-13-20/h4-16H,3,17H2,1-2H3
InChIKey GWZIXNZDIKGPPU-UHFFFAOYSA-N
Molecular Weight 477.531 g/mol
SMILES c1(S([n]2c3c(c(C(C(=O)OCC)=O)ccc3OCc3ccccc3)c(c2)C)(=O)=O)ccccc1
SPLASH splash10-0006-9011500000-45059b685beeacd06552
Source of Spectrum KC-1988-2495-11
Synonyms Ethyl (7-benzyloxy-3-methyl-1-phenylsulphonyl-1H-indol-4-yl)glyoxylate Ethyl[7-(benzyloxy)-3-methyl-1-(phenylsulfonyl)-1H-indol-4-yl](oxo)acetate
Wiley ID 1394530