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2-(N-((1-Oxo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)phenylsulfonamido)ethyl benzenesulfonate
SpectraBase Compound ID CAG3tKLTe2U
InChI InChI=1S/C27H26N2O6S2/c30-26-18-20(17-24-23-13-7-8-14-25(23)28-27(24)26)19-29(36(31,32)21-9-3-1-4-10-21)15-16-35-37(33,34)22-11-5-2-6-12-22/h1-14,20,28H,15-19H2
InChIKey WBVTXOKTPFBYNL-UHFFFAOYSA-N
Mol Weight 538.63 g/mol
Molecular Formula C27H26N2O6S2
Exact Mass 538.123229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mjiBfJuGcp
Name 2-(N-((1-Oxo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)phenylsulfonamido)ethyl benzenesulfonate
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Formula C27H26N2O6S2
InChI InChI=1S/C27H26N2O6S2/c30-26-18-20(17-24-23-13-7-8-14-25(23)28-27(24)26)19-29(36(31,32)21-9-3-1-4-10-21)15-16-35-37(33,34)22-11-5-2-6-12-22/h1-14,20,28H,15-19H2
InChIKey WBVTXOKTPFBYNL-UHFFFAOYSA-N
Instrument Name Micromass UK Platform II LC-MS and HP 5980-5971
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2366
Molecular Weight 538.633 g/mol
SMILES [nH]1c2ccccc2c2CC(CC(c12)=O)CN(CCOS(c1ccccc1)(=O)=O)S(c1ccccc1)(=O)=O
SPLASH splash10-066r-0901050000-a8505fd87786eb2c0a23
Source of Spectrum Y-53-769-5
Wiley ID 1876479