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3-Methyl-2-[1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrol-3-yl]but-2-enoic acid methyl ester
SpectraBase Compound ID HExlaX9P23Q
InChI InChI=1S/C17H21NO4S/c1-12(2)16(17(19)22-4)14-9-10-18(11-14)23(20,21)15-7-5-13(3)6-8-15/h5-9H,10-11H2,1-4H3
InChIKey PLVWLQSTVKXCJD-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcV9UFhPJgQ
Name 3-Methyl-2-[1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrol-3-yl]but-2-enoic acid methyl ester
Alternate Name(s) Methyl 3-methyl-2-{1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrol-3-yl}-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-12(2)16(17(19)22-4)14-9-10-18(11-14)23(20,21)15-7-5-13(3)6-8-15/h5-9H,10-11H2,1-4H3
InChIKey PLVWLQSTVKXCJD-UHFFFAOYSA-N
Molecular Weight 335.418 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC=C1C(C(=O)OC)=C(C)C
SPLASH splash10-00di-4902000000-795c7428935d1cb6370b
Source of Spectrum QE-7-3250-45
Wiley ID 845763