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N-(1-Tosyl-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
SpectraBase Compound ID DIFcmsiirm7
InChI InChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)29(25,26)22-12-2-4-16-8-9-17(14-19(16)22)21-28(23,24)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKey UXEGGQLBIMVXPJ-UHFFFAOYSA-N
Mol Weight 448.57 g/mol
Molecular Formula C20H20N2O4S3
Exact Mass 448.058521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBSssPhDui
Name N-(1-Tosyl-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
Appearance Pale yellow solid
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Formula C20H20N2O4S3
InChI InChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)29(25,26)22-12-2-4-16-8-9-17(14-19(16)22)21-28(23,24)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKey UXEGGQLBIMVXPJ-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 448.570 g/mol
Reported Formula C20H20N2O4S3
SMILES N(c1cc2c(CCCN2S(c2ccc(cc2)C)(=O)=O)cc1)S(=O)(=O)c1cccs1
SPLASH splash10-00ke-4921000000-6829a42d5ad9d9b900a5
Source of Spectrum MCS-5-SM21-34
Wiley ID 1864158