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Propanedioic acid, [[1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1H-indol-3-yl]methylene]-, diethyl ester
SpectraBase Compound ID JFXFNtD66nV
InChI InChI=1S/C24H25NO7S/c1-5-31-23(26)21(24(27)32-6-2)15-20-16(3)25(22-10-8-7-9-19(20)22)33(28,29)18-13-11-17(30-4)12-14-18/h7-15H,5-6H2,1-4H3
InChIKey DMLZLQNVVWROFA-UHFFFAOYSA-N
Mol Weight 471.52 g/mol
Molecular Formula C24H25NO7S
Exact Mass 471.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nDevrp9QiV
Name Propanedioic acid, [[1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1H-indol-3-yl]methylene]-, diethyl ester
CAS Registry Number 95548-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7S
InChI InChI=1S/C24H25NO7S/c1-5-31-23(26)21(24(27)32-6-2)15-20-16(3)25(22-10-8-7-9-19(20)22)33(28,29)18-13-11-17(30-4)12-14-18/h7-15H,5-6H2,1-4H3
InChIKey DMLZLQNVVWROFA-UHFFFAOYSA-N
Molecular Weight 471.524 g/mol
SMILES c1(S([n]2c(c(C=C(C(=O)OCC)C(=O)OCC)c3c2cccc3)C)(=O)=O)ccc(cc1)OC
SPLASH splash10-00di-0940400000-efdc6fb63250f4ae3294
Source of Spectrum KC-1987-979-9
Synonyms Diethyl 2-({1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1H-indol-3-yl}methylene)malonate Diethyl[2-methyl-1-(p-methoxyphenylsulphonyl)indol-3-yl]-methylenemalonate
Wiley ID 1393104