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Methyl 3-n-Butyl-4-(p-hydroxymethyl)benznesulfonyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 4JKpm5BoDVv
InChI InChI=1S/C17H21NO5S/c1-3-4-5-14-15(10-18-16(14)17(20)23-2)24(21,22)13-8-6-12(11-19)7-9-13/h6-10,18-19H,3-5,11H2,1-2H3
InChIKey OIWHELNSLLIYQY-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y2CSNajKhS
Name Methyl 3-n-Butyl-4-(p-hydroxymethyl)benznesulfonyl)-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-3-4-5-14-15(10-18-16(14)17(20)23-2)24(21,22)13-8-6-12(11-19)7-9-13/h6-10,18-19H,3-5,11H2,1-2H3
InChIKey OIWHELNSLLIYQY-UHFFFAOYSA-N
Molecular Weight 351.417 g/mol
SMILES OCc1ccc(S(c2c[nH]c(c2CCCC)C(=O)OC)(=O)=O)cc1
SPLASH splash10-0a4i-0019000000-b2e9e1c041021aac598b
Source of Spectrum J-73-8066-54
Wiley ID 1668702