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DIMETHYL-5-[5-[3,6,9,12,15-PENTAOXA-21-AZABICYCLO-[15.3.1]-HENICOSA-1(21),17,19-TRIEN-19-YL]-2-THIENYL]-ISOPHTHALATE
SpectraBase Compound ID El1twpqrUpG
InChI InChI=1S/C29H33NO9S/c1-33-28(31)22-13-20(14-23(15-22)29(32)34-2)26-3-4-27(40-26)21-16-24-18-38-11-9-36-7-5-35-6-8-37-10-12-39-19-25(17-21)30-24/h3-4,13-17H,5-12,18-19H2,1-2H3
InChIKey BKOULVYSZKZLNT-UHFFFAOYSA-N
Mol Weight 571.6 g/mol
Molecular Formula C29H33NO9S
Exact Mass 571.187603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58gFktUF0dC
Name 5-[5-(3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]heneicosa-1(20),17(21),18-trien-19-yl)-2-thienyl]benzene-1,3-dicarboxylic acid dimethyl ester
Alternate Name(s) 5-[5-(3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]heneicosa-1(20),17(21),18-trien-19-yl)-2-thiophenyl]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[5-(3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)-2-thienyl]benzene-1,3-dicarboxylate Dimethyl 5-[5-(3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-yl)thiophen-2-yl]benzene-1,3-dicarboxylate
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Formula C29H33NO9S
InChI InChI=1S/C29H33NO9S/c1-33-28(31)22-13-20(14-23(15-22)29(32)34-2)26-3-4-27(40-26)21-16-24-18-38-11-9-36-7-5-35-6-8-37-10-12-39-19-25(17-21)30-24/h3-4,13-17H,5-12,18-19H2,1-2H3
InChIKey BKOULVYSZKZLNT-UHFFFAOYSA-N
Molecular Weight 571.641 g/mol
SMILES c1(sc(cc1)-c1cc2COCCOCCOCCOCCOCc(n2)c1)-c1cc(C(=O)OC)cc(c1)C(=O)OC
SPLASH splash10-000t-0009150000-e1fb593caca38649ed93
Source of Spectrum KC-0-1747-15
Wiley ID 828284