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3-Methylthio-2,7,8,9-tetrahydro-1H-benzo[6',7']cyclohepta[1',2':4,5]pyrido[2,3-d]pyrimidin-1-one
SpectraBase Compound ID 2LBqdeq7Vnk
InChI InChI=1S/C17H15N3OS/c1-22-17-19-15-14(16(21)20-17)13-11(9-18-15)7-4-6-10-5-2-3-8-12(10)13/h2-3,5,8-9H,4,6-7H2,1H3,(H,18,19,20,21)
InChIKey SRJDULREORBXAD-UHFFFAOYSA-N
Mol Weight 309.39 g/mol
Molecular Formula C17H15N3OS
Exact Mass 309.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg1BEsk4YBT
Name 3-Methylthio-2,7,8,9-tetrahydro-1H-benzo[6',7']cyclohepta[1',2':4,5]pyrido[2,3-d]pyrimidin-1-one
Appearance Pale yellow solid
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Formula C17H15N3OS
InChI InChI=1S/C17H15N3OS/c1-22-17-19-15-14(16(21)20-17)13-11(9-18-15)7-4-6-10-5-2-3-8-12(10)13/h2-3,5,8-9H,4,6-7H2,1H3,(H,18,19,20,21)
InChIKey SRJDULREORBXAD-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.d03
Molecular Weight 309.387 g/mol
SMILES N1C(=Nc2ncc3c(c2C1=O)-c1c(CCC3)cccc1)SC
SPLASH splash10-0a4r-4429000000-d5098de21fb3a6121eb2
Source of Spectrum ARK-2009-36-4
Wiley ID 1869864