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6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-3-(2-methylphenyl)-4-oxo-
SpectraBase Compound ID DrubnhKezU3
InChI InChI=1S/C15H14ClN3O3S/c1-9-4-2-3-5-13(9)19-8-18-12-7-11(16)14(23(17,21)22)6-10(12)15(19)20/h2-7H,8H2,1H3,(H3-,17,18,20,21,22)
InChIKey XKHQYAOIUSESEQ-UHFFFAOYSA-N
Mol Weight 351.81 g/mol
Molecular Formula C15H14ClN3O3S
Exact Mass 351.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuzTHlJdCuA
Name 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-3-(2-methylphenyl)-4-oxo-
Comments Note: The molecular formula of the structure shown is C15H16ClN3O3S - which differs from the formula reported for the mass spectrum (C15H14ClN3O3S)
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Formula C15H14ClN3O3S
InChI InChI=1S/C15H14ClN3O3S/c1-9-4-2-3-5-13(9)19-8-18-12-7-11(16)14(23(17,21)22)6-10(12)15(19)20/h2-7H,8H2,1H3,(H3-,17,18,20,21,22)
InChIKey XKHQYAOIUSESEQ-UHFFFAOYSA-N
Molecular Weight 351.808 g/mol
SMILES N1CN(C(c2cc([S+](N)([O-])=O)c(cc12)Cl)=O)c1ccccc1C
SPLASH splash10-0541-4975000000-9ff86ddfcb295e4e2847
Synonyms 7-Chloro-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide Metolazone breakdown
Wiley ID 1508059