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1-Methyl-4-oxo-3-phenyl-4H-benzothiazolo[3,2-a]pyrimidin-1-ium-2-olate
SpectraBase Compound ID 2ToR713yi90
InChI InChI=1S/C17H12N2O2S/c1-18-15(20)14(11-7-3-2-4-8-11)16(21)19-12-9-5-6-10-13(12)22-17(18)19/h2-10H,1H3
InChIKey RTEKDTVOPIHASN-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C17H12N2O2S
Exact Mass 308.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sNA6irpXvm
Name 1-Methyl-4-oxo-3-phenyl-4H-benzothiazolo[3,2-a]pyrimidin-1-ium-2-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O2S
InChI InChI=1S/C17H12N2O2S/c1-18-15(20)14(11-7-3-2-4-8-11)16(21)19-12-9-5-6-10-13(12)22-17(18)19/h2-10H,1H3
InChIKey RTEKDTVOPIHASN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19851180528
Molecular Weight 308.355 g/mol
SMILES c1cc2c(cc1)[n]1c([s+]2)N(C(C(=C1[O-])c1ccccc1)=O)C
SPLASH splash10-014i-9200000000-fa25762643737ab54907
Source of Spectrum K-118-2089-3d
Synonyms 1-Methyl-2-oxo-3-phenyl-1,2-dihydrobenzo[4,5]thiazolo[3,2-a]pyrimidin-10-ium-4-olate
Wiley ID 1794418