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3H-Indole, 3-[1,3-Benzodioxol-5-ylmethylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
SpectraBase Compound ID 90xNP0C7vxi
InChI InChI=1S/C23H17N3O8S/c1-14-2-5-18(6-3-14)35(31,32)24-12-16(8-15-4-7-21-22(9-15)34-13-33-21)23-19(24)10-17(25(27)28)11-20(23)26(29)30/h2-11H,12-13H2,1H3/b16-8+
InChIKey LYDNWLAWHDMEPR-LZYBPNLTSA-N
Mol Weight 495.46 g/mol
Molecular Formula C23H17N3O8S
Exact Mass 495.073636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 480ITFHZdlG
Name 3H-Indole, 3-[1,3-Benzodioxol-5-ylmethylidene]-1,2-dihydro-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3O8S
InChI InChI=1S/C23H17N3O8S/c1-14-2-5-18(6-3-14)35(31,32)24-12-16(8-15-4-7-21-22(9-15)34-13-33-21)23-19(24)10-17(25(27)28)11-20(23)26(29)30/h2-11H,12-13H2,1H3/b16-8+
InChIKey LYDNWLAWHDMEPR-LZYBPNLTSA-N
Molecular Weight 495.462 g/mol
SMILES c12c(cc(cc2N(=O)=O)N(=O)=O)N(C\C1=C\c1cc2c(cc1)OCO2)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-7931000000-b38ade6898e6ff1be2b0
Source of Spectrum IY-1-4522-2
Synonyms (3Z)-3-(1,3-benzodioxol-5-ylmethylene)-4,6-dinitro-1-(p-tolylsulfonyl)indoline (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole
Wiley ID 1653205