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4-Amino-7-[(5'-methoxy-3',3'-dioxo-1',3'-benzothiazol-4'-yl)azo]-5-methoxy-1,3-benzoxathiole - 3,3-Dioxide
SpectraBase Compound ID F6t0ekj3IiU
InChI InChI=1S/C16H15N3O8S2/c1-24-9-3-4-10-15(28(20,21)6-26-10)13(9)19-18-8-5-11(25-2)12(17)16-14(8)27-7-29(16,22)23/h3-5H,6-7,17H2,1-2H3/b19-18+
InChIKey QGMYPRJCGYWSNP-VHEBQXMUSA-N
Mol Weight 441.43 g/mol
Molecular Formula C16H15N3O8S2
Exact Mass 441.030057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TC3aSbQBj4
Name 4-Amino-7-[(5'-methoxy-3',3'-dioxo-1',3'-benzothiazol-4'-yl)azo]-5-methoxy-1,3-benzoxathiole - 3,3-Dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O8S2
InChI InChI=1S/C16H15N3O8S2/c1-24-9-3-4-10-15(28(20,21)6-26-10)13(9)19-18-8-5-11(25-2)12(17)16-14(8)27-7-29(16,22)23/h3-5H,6-7,17H2,1-2H3/b19-18+
InChIKey QGMYPRJCGYWSNP-VHEBQXMUSA-N
Molecular Weight 441.429 g/mol
SMILES Nc1c2S(COc2c(\N=N\c2c3S(COc3ccc2OC)(=O)=O)cc1OC)(=O)=O
SPLASH splash10-01ox-0090100000-2a15eaf6428125b5edba
Source of Spectrum D8-329-366-13
Wiley ID 1516180