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N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-nitro-N-(prop-2-yn-1-yl)benzenesulfonamide
SpectraBase Compound ID 8SpBcqQowKB
InChI InChI=1S/C26H26N2O8S/c1-7-15-27(37(31,32)21-13-11-20(12-14-21)28(29)30)16-9-10-17-36-19(3)23-18-24(33-4)26(35-6)25(34-5)22(23)8-2/h1-2,11-14,18-19H,15-17H2,3-6H3
InChIKey PUMCUVPEJCINKD-UHFFFAOYSA-N
Mol Weight 526.56 g/mol
Molecular Formula C26H26N2O8S
Exact Mass 526.140987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgXFwiwraAQ
Name N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-nitro-N-(prop-2-yn-1-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O8S
InChI InChI=1S/C26H26N2O8S/c1-7-15-27(37(31,32)21-13-11-20(12-14-21)28(29)30)16-9-10-17-36-19(3)23-18-24(33-4)26(35-6)25(34-5)22(23)8-2/h1-2,11-14,18-19H,15-17H2,3-6H3
InChIKey PUMCUVPEJCINKD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802542c
Molecular Weight 526.560 g/mol
SMILES C(OC(c1cc(OC)c(c(c1C#C)OC)OC)C)C#CCN(CC#C)S(c1ccc(cc1)[N+](=O)[O-])(=O)=O
SPLASH splash10-000i-2493010000-d31fafac7ffa15657edb
Source of Spectrum A1-11-341/SMS111-rac_18
Wiley ID 1756468