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2-Benzoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SpectraBase Compound ID 9vcp9djbCFq
InChI InChI=1S/C17H15NO3/c19-16(13-7-2-1-3-8-13)18-11-10-12-6-4-5-9-14(12)15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)
InChIKey YESXYEZBVICBRJ-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeHV74Tysd
Name 2-Benzoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H15NO3
InChI InChI=1S/C17H15NO3/c19-16(13-7-2-1-3-8-13)18-11-10-12-6-4-5-9-14(12)15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)
InChIKey YESXYEZBVICBRJ-UHFFFAOYSA-N
Molecular Weight 281.311 g/mol
SMILES OC(C1N(CCc2ccccc12)C(c1ccccc1)=O)=O
SPLASH splash10-000i-0090000000-b46b9ad740ee84230d98
Source of Spectrum E1-45-1251-4
Synonyms 2-benzoyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid 2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Wiley ID 1553993