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Ethyl 1-tosyl-2-phenyl-5-n-propyl-2,5-dihydropyrrole-3-carboxylate
SpectraBase Compound ID GySiAep8zK8
InChI InChI=1S/C23H27NO4S/c1-4-9-19-16-21(23(25)28-5-2)22(18-10-7-6-8-11-18)24(19)29(26,27)20-14-12-17(3)13-15-20/h6-8,10-16,19,22H,4-5,9H2,1-3H3/t19-,22+/m0/s1
InChIKey JNPPLMFYXAVTAJ-SIKLNZKXSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fwfUIJ8leC
Name Ethyl 1-tosyl-2-phenyl-5-n-propyl-2,5-dihydropyrrole-3-carboxylate
Alternate Name(s) (2R,5S)-2-Phenyl-5-propyl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester Ethyl 1-[(4-methylphenyl)sulfonyl]-2-phenyl-5-propyl-2,5-dihydro-1H-pyrrole-3-carboxylate
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Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c1-4-9-19-16-21(23(25)28-5-2)22(18-10-7-6-8-11-18)24(19)29(26,27)20-14-12-17(3)13-15-20/h6-8,10-16,19,22H,4-5,9H2,1-3H3/t19-,22+/m0/s1
InChIKey JNPPLMFYXAVTAJ-SIKLNZKXSA-N
Molecular Weight 413.532 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@](C=C1C(=O)OCC)(CCC)[H])(c1ccccc1)[H]
SPLASH splash10-00dj-0289400000-8b49301c9b8c078060ec
Source of Spectrum AT-40-550-9
Wiley ID 854398