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3-(1H-[1,5]benzothiazepin-2-yl)-4-hydroxy-1-methyl-2(1H)-quinolinone
SpectraBase Compound ID DqeTuuZ2lIQ
InChI InChI=1S/C19H14N2O2S/c1-21-14-8-4-2-6-12(14)18(22)17(19(21)23)16-10-11-20-13-7-3-5-9-15(13)24-16/h2-11,22H,1H3
InChIKey DBONATGXXJIMEY-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C19H14N2O2S
Exact Mass 334.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBsmbtSXkmH
Name 3-(1H-[1,5]benzothiazepin-2-yl)-4-hydroxy-1-methyl-2(1H)-quinolinone
Appearance Yellow crystalline solid
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Formula C19H14N2O2S
InChI InChI=1S/C19H14N2O2S/c1-21-14-8-4-2-6-12(14)18(22)17(19(21)23)16-10-11-20-13-7-3-5-9-15(13)24-16/h2-11,22H,1H3
InChIKey DBONATGXXJIMEY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSqp 1000 ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2952
Molecular Weight 334.393 g/mol
SMILES OC=1c2ccccc2N(C(C1C=1Sc2c(N=CC1)cccc2)=O)C
SPLASH splash10-016r-4791000000-3cd75f1a138a074c582d
Source of Spectrum Y-54-3328-9c
Wiley ID 1878665