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Methyl 2,5-Dihydro-2-cinnamyl-1-tosylpyrrole-3-carboxylate
SpectraBase Compound ID 9bWphlXYia1
InChI InChI=1S/C21H21NO4S/c1-16-8-11-18(12-9-16)27(24,25)22-15-14-19(21(23)26-2)20(22)13-10-17-6-4-3-5-7-17/h3-14,20H,15H2,1-2H3/b13-10+
InChIKey HKKRAGJOLRTPNV-JLHYYAGUSA-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 93azwH6H198
Name Methyl 2,5-Dihydro-2-cinnamyl-1-tosylpyrrole-3-carboxylate
Alternate Name(s) Methyl 1-[(4-methylphenyl)sulfonyl]-2-[(E)-2-phenylethenyl]-2,5-dihydro-1H-pyrrole-3-carboxylate
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Formula C21H21NO4S
InChI InChI=1S/C21H21NO4S/c1-16-8-11-18(12-9-16)27(24,25)22-15-14-19(21(23)26-2)20(22)13-10-17-6-4-3-5-7-17/h3-14,20H,15H2,1-2H3/b13-10+
InChIKey HKKRAGJOLRTPNV-JLHYYAGUSA-N
Molecular Weight 383.462 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CC=C1C(=O)OC)\C=C\c1ccccc1
SPLASH splash10-002b-0950000000-f32a461e527888d12e2c
Source of Spectrum J-63-5039-3
Wiley ID 1361068