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2-(3,4-Diethoxy-benzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
SpectraBase Compound ID L1aoRblUYvQ
InChI InChI=1S/C21H21NO4S/c1-3-25-18-12-11-15(13-19(18)26-4-2)14-22-17-9-5-7-16-8-6-10-20(21(16)17)27(22,23)24/h5-13H,3-4,14H2,1-2H3
InChIKey AYEGOCAMUVSJES-UHFFFAOYSA-N
Mol Weight 383.46 g/mol
Molecular Formula C21H21NO4S
Exact Mass 383.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4H93Xgl8gNp
Name 2-(3,4-Diethoxy-benzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4S
InChI InChI=1S/C21H21NO4S/c1-3-25-18-12-11-15(13-19(18)26-4-2)14-22-17-9-5-7-16-8-6-10-20(21(16)17)27(22,23)24/h5-13H,3-4,14H2,1-2H3
InChIKey AYEGOCAMUVSJES-UHFFFAOYSA-N
Molecular Weight 383.462 g/mol
SMILES CCOc1ccc(CN2S(c3c4c(cccc24)ccc3)(=O)=O)cc1OCC
SPLASH splash10-004i-1900000000-b957e10c6a991e00ca9a
Wiley ID 1466517