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Toluene-4-sulfonic Acid 5-(5-{[Prop-2-ynyl(toluene-4-sulfonyl)amino]methyl}furan-2-yl)pent-4-ynyl Ester
SpectraBase Compound ID K2GMrDxpjYA
InChI InChI=1S/C27H27NO6S2/c1-4-19-28(35(29,30)26-15-9-22(2)10-16-26)21-25-14-13-24(34-25)8-6-5-7-20-33-36(31,32)27-17-11-23(3)12-18-27/h1,9-18H,5,7,19-21H2,2-3H3
InChIKey MVJNJIFACCLQJA-UHFFFAOYSA-N
Mol Weight 525.63 g/mol
Molecular Formula C27H27NO6S2
Exact Mass 525.12798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QkLNtgfzM
Name Toluene-4-sulfonic Acid 5-(5-{[Prop-2-ynyl(toluene-4-sulfonyl)amino]methyl}furan-2-yl)pent-4-ynyl Ester
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Formula C27H27NO6S2
InChI InChI=1S/C27H27NO6S2/c1-4-19-28(35(29,30)26-15-9-22(2)10-16-26)21-25-14-13-24(34-25)8-6-5-7-20-33-36(31,32)27-17-11-23(3)12-18-27/h1,9-18H,5,7,19-21H2,2-3H3
InChIKey MVJNJIFACCLQJA-UHFFFAOYSA-N
Molecular Weight 525.634 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)CC#C)c1oc(C#CCCCOS(c2ccc(cc2)C)(=O)=O)cc1
SPLASH splash10-00dl-8609020000-bd459632a0c6f0e04a25
Source of Spectrum F4-40-2711-10f
Wiley ID 1670913