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Pyrano[4,3-b]indol-1(3H)-one, 4,5-dihydro-5-[(4-methylphenyl)sulfonyl]-3-propyl-
SpectraBase Compound ID Iru2m0O5gZ4
InChI InChI=1S/C21H21NO4S/c1-3-6-15-13-19-20(21(23)26-15)17-7-4-5-8-18(17)22(19)27(24,25)16-11-9-14(2)10-12-16/h4-5,7-12,15H,3,6,13H2,1-2H3
InChIKey LHHJCJVFGHTOOE-UHFFFAOYSA-N
Mol Weight 383.46 g/mol
Molecular Formula C21H21NO4S
Exact Mass 383.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QswLnS0uDf
Name Pyrano[4,3-b]indol-1(3H)-one, 4,5-dihydro-5-[(4-methylphenyl)sulfonyl]-3-propyl-
CAS Registry Number 122946-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4S
InChI InChI=1S/C21H21NO4S/c1-3-6-15-13-19-20(21(23)26-15)17-7-4-5-8-18(17)22(19)27(24,25)16-11-9-14(2)10-12-16/h4-5,7-12,15H,3,6,13H2,1-2H3
InChIKey LHHJCJVFGHTOOE-UHFFFAOYSA-N
Molecular Weight 383.462 g/mol
SMILES c1(S([n]2c3c(C(=O)OC(C3)CCC)c3c2cccc3)(=O)=O)ccc(cc1)C
SPLASH splash10-0a5c-3933000000-5068052f7214e596a706
Source of Spectrum J-54-4792-5
Synonyms 3-Propyl-4-(p-tolylsulfonyl)-[2H]-1,4-dihydropyrano-[4,3-b]indole 5-[(4-methylphenyl)sulfonyl]-3-propyl-4,5-dihydropyrano[4,3-b]indol-1(3H)-one
Wiley ID 1361063