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2-(phenylcarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SpectraBase Compound ID 7uncZPLH7AN
InChI InChI=1S/C19H16N2O3/c22-18(12-6-2-1-3-7-12)21-11-10-14-13-8-4-5-9-15(13)20-16(14)17(21)19(23)24/h1-9,17,20H,10-11H2,(H,23,24)
InChIKey FSJKETCKJSZNDX-UHFFFAOYSA-N
Mol Weight 320.35 g/mol
Molecular Formula C19H16N2O3
Exact Mass 320.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7viQ3eRpeKr
Name 2-(phenylcarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
Alternate Name(s) 2-benzoyl-1,3,4,9-tetrahydro-$b-carboline-1-carboxylic acid 2-benzoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H16N2O3
InChI InChI=1S/C19H16N2O3/c22-18(12-6-2-1-3-7-12)21-11-10-14-13-8-4-5-9-15(13)20-16(14)17(21)19(23)24/h1-9,17,20H,10-11H2,(H,23,24)
InChIKey FSJKETCKJSZNDX-UHFFFAOYSA-N
Molecular Weight 320.348 g/mol
SMILES [nH]1c2c(CCN(C2C(=O)O)C(c2ccccc2)=O)c2ccccc12
SPLASH splash10-004i-0090000000-dbdb5ff55250ebbd95ba
Source of Spectrum E1-45-1251-7
Wiley ID 1554004