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3-Formyl-N-methyl-9-[phenylethynyl]dibenzo[2,3-a : 5,6-a'] (1,4)-thiazine
SpectraBase Compound ID CfEbHPqP5tO
InChI InChI=1S/C22H15NOS/c1-23-19-11-9-17(8-7-16-5-3-2-4-6-16)13-21(19)25-22-14-18(15-24)10-12-20(22)23/h2-6,9-15H,1H3
InChIKey MCQUSPHBUFBZDX-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C22H15NOS
Exact Mass 341.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADiT0fmpIxZ
Name 3-Formyl-N-methyl-9-[phenylethynyl]dibenzo[2,3-a : 5,6-a'] (1,4)-thiazine
Alternate Name(s) 7-(Phenylethynyl)-10-methyl-10H-phenothiazine-3-carbaldehyde 10-methyl-7-(phenylethynyl)-10H-phenothiazine-3-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C22H15NOS
InChI InChI=1S/C22H15NOS/c1-23-19-11-9-17(8-7-16-5-3-2-4-6-16)13-21(19)25-22-14-18(15-24)10-12-20(22)23/h2-6,9-15H,1H3
InChIKey MCQUSPHBUFBZDX-UHFFFAOYSA-N
Molecular Weight 341.428 g/mol
SMILES c12N(c3c(Sc2cc(C#Cc2ccccc2)cc1)cc(cc3)C=O)C
SPLASH splash10-0006-0009000000-13349fd48126a90d9e68
Source of Spectrum OL-2-3726-16
Wiley ID 850088