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3-({[4-(3-bromophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID IxdhnbEQyu4
InChI InChI=1S/C21H20BrNO6S/c1-2-28-21(27)15-12(10-4-3-5-11(22)8-10)9-30-19(15)23-18(24)16-13-6-7-14(29-13)17(16)20(25)26/h3-5,8-9,13-14,16-17H,2,6-7H2,1H3,(H,23,24)(H,25,26)/t13-,14+,16+,17+/m0/s1
InChIKey HTNXRTIQLQKXHW-XOSAIJSUSA-N
Mol Weight 494.36 g/mol
Molecular Formula C21H20BrNO6S
Exact Mass 493.019472 g/mol
Enantiomer InChIKey HTNXRTIQLQKXHW-OHFALNGGSA-N
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Solvent DMSO-d6
Unknown Identification

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