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2-Difluoromethyl-3-[2-(methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-N-tosylpyrrole
SpectraBase Compound ID 3qy1EsJTsza
InChI InChI=1S/C19H21F2NO6S/c1-12-4-7-14(8-5-12)29(25,26)22-11-13(6-9-16(23)27-2)15(10-17(24)28-3)18(22)19(20)21/h4-5,7-8,11,19H,6,9-10H2,1-3H3
InChIKey GSLTUKRWJVMPDU-UHFFFAOYSA-N
Mol Weight 429.43 g/mol
Molecular Formula C19H21F2NO6S
Exact Mass 429.105765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fadULylDwb
Name 2-Difluoromethyl-3-[2-(methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-N-tosylpyrrole
Alternate Name(s) 2-Difluoromethyl-4-[2-(methoxycarbonyl)ethyl]-3-(methoxycarbonylmethyl)-N-tosylpyrrole 3-[2-(difluoromethyl)-4-(2-keto-2-methoxy-ethyl)-1-tosyl-pyrrol-3-yl]propionic acid methyl ester 3-[2-(difluoromethyl)-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]propanoic acid methyl ester Methyl 3-[2-(difluoromethyl)-4-(2-methoxy-2-oxo-ethyl)-1-(p-tolylsulfonyl)pyrrol-3-yl]propanoate Methyl 3-[2-(difluoromethyl)-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoate Methyl 3-[2-[bis(fluoranyl)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]propanoate Methyl 3-{2-(difluoromethyl)-4-(2-methoxy-2-oxoethyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}propanoate
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Formula C19H21F2NO6S
InChI InChI=1S/C19H21F2NO6S/c1-12-4-7-14(8-5-12)29(25,26)22-11-13(6-9-16(23)27-2)15(10-17(24)28-3)18(22)19(20)21/h4-5,7-8,11,19H,6,9-10H2,1-3H3
InChIKey GSLTUKRWJVMPDU-UHFFFAOYSA-N
Molecular Weight 429.435 g/mol
SMILES c1(S([n]2c(c(CC(=O)OC)c(c2)CCC(=O)OC)C(F)F)(=O)=O)ccc(cc1)C
SPLASH splash10-05fu-7595800000-9cdeedb461d996f86e8b
Source of Spectrum AT-36-2392-4
Wiley ID 853108