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2-(N-((2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)phenylsulfonamido)ethyl benzenesulfonate
SpectraBase Compound ID ALqL97bZzkY
InChI InChI=1S/C27H28N2O5S2/c30-35(31,22-9-3-1-4-10-22)29(17-18-34-36(32,33)23-11-5-2-6-12-23)20-21-15-16-27-25(19-21)24-13-7-8-14-26(24)28-27/h1-14,21,28H,15-20H2
InChIKey UUPBKTLYFYDHBQ-UHFFFAOYSA-N
Mol Weight 524.65 g/mol
Molecular Formula C27H28N2O5S2
Exact Mass 524.143964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYMSfnYC5P5
Name 2-(N-((2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)phenylsulfonamido)ethyl benzenesulfonate
Appearance Brown oil
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Formula C27H28N2O5S2
InChI InChI=1S/C27H28N2O5S2/c30-35(31,22-9-3-1-4-10-22)29(17-18-34-36(32,33)23-11-5-2-6-12-23)20-21-15-16-27-25(19-21)24-13-7-8-14-26(24)28-27/h1-14,21,28H,15-20H2
InChIKey UUPBKTLYFYDHBQ-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 524.650 g/mol
SMILES [nH]1c2ccccc2c2CC(CCc12)CN(CCOS(c1ccccc1)(=O)=O)S(c1ccccc1)(=O)=O
SPLASH splash10-00kf-0703900000-1a07a79e98d0a14f9bf2
Source of Spectrum Y-53-769-4
Wiley ID 1876478