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N,N-Bis[2-[3,5-bis(ethoxycarbonyl)phenoxy]ethyl]-p-toluene sulfonamide
SpectraBase Compound ID KKIXeg0XX6b
InChI InChI=1S/C35H41NO12S/c1-6-43-32(37)25-18-26(33(38)44-7-2)21-29(20-25)47-16-14-36(49(41,42)31-12-10-24(5)11-13-31)15-17-48-30-22-27(34(39)45-8-3)19-28(23-30)35(40)46-9-4/h10-13,18-23H,6-9,14-17H2,1-5H3
InChIKey GDVOJYFXJOKECY-UHFFFAOYSA-N
Mol Weight 699.8 g/mol
Molecular Formula C35H41NO12S
Exact Mass 699.234947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SOGbySvLyc
Name N,N-Bis[2-[3,5-bis(ethoxycarbonyl)phenoxy]ethyl]-p-toluene sulfonamide
Alternate Name(s) diethyl 5-(2-{{2-[3,5-bis(ethoxycarbonyl)phenoxy]ethyl}[(4-methylphenyl)sulfonyl]amino}ethoxy)isophthalate
Comments Less than 3 mono-isotopic peaks
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Formula C35H41NO12S
InChI InChI=1S/C35H41NO12S/c1-6-43-32(37)25-18-26(33(38)44-7-2)21-29(20-25)47-16-14-36(49(41,42)31-12-10-24(5)11-13-31)15-17-48-30-22-27(34(39)45-8-3)19-28(23-30)35(40)46-9-4/h10-13,18-23H,6-9,14-17H2,1-5H3
InChIKey GDVOJYFXJOKECY-UHFFFAOYSA-N
Molecular Weight 699.768 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)CCOc1cc(C(=O)OCC)cc(c1)C(=O)OCC)COc1cc(C(=O)OCC)cc(c1)C(=O)OCC
SPLASH splash10-0udi-0000009100-ed70ef676ca5e9abe38a
Source of Spectrum QE-4-791-5
Wiley ID 843484