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1-keto-2-triflyl-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID Dyikjx064PZ
InChI InChI=1S/C13H12F3NO5S/c1-2-22-12(19)10-7-8-5-3-4-6-9(8)11(18)17(10)23(20,21)13(14,15)16/h3-6,10H,2,7H2,1H3
InChIKey RDFWJPDZMPIKBJ-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C13H12F3NO5S
Exact Mass 351.038828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1MRCQNtkwb
Name 1-keto-2-triflyl-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester
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Formula C13H12F3NO5S
InChI InChI=1S/C13H12F3NO5S/c1-2-22-12(19)10-7-8-5-3-4-6-9(8)11(18)17(10)23(20,21)13(14,15)16/h3-6,10H,2,7H2,1H3
InChIKey RDFWJPDZMPIKBJ-UHFFFAOYSA-N
Molecular Weight 351.296 g/mol
SMILES C1(N(C(Cc2ccccc12)C(=O)OCC)S(=O)(=O)C(F)(F)F)=O
SPLASH splash10-004i-0390000000-d5bba06b48e3323f5577
Source of Spectrum J-64-5137-15
Synonyms 1-Oxo-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester Ethyl 1-oxidanylidene-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate Ethyl 1-oxo-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate
Wiley ID 1530712