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(1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid ethyl ester
SpectraBase Compound ID 4wjN5QSppVX
InChI InChI=1S/C13H12F3NO5S/c1-2-21-12(18)10-7-8-5-3-4-6-9(8)11(22-10)17-23(19,20)13(14,15)16/h3-6,10H,2,7H2,1H3/b17-11-
InChIKey IIBDZRXCDYNTCS-BOPFTXTBSA-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 1eeq6BhwBar
Name (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid ethyl ester
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Formula C13H12F3NO5S
InChI InChI=1S/C13H12F3NO5S/c1-2-21-12(18)10-7-8-5-3-4-6-9(8)11(22-10)17-23(19,20)13(14,15)16/h3-6,10H,2,7H2,1H3/b17-11-
InChIKey IIBDZRXCDYNTCS-BOPFTXTBSA-N
Molecular Weight 351.296 g/mol
SMILES C1(O\C(=N/S(C(F)(F)F)(=O)=O)c2c(C1)cccc2)C(=O)OCC
SPLASH splash10-0059-0090000000-04f2598c261c0ef1da84
Source of Spectrum J-64-5137-16
Synonyms (1Z)-1-triflyliminoisochroman-3-carboxylic acid ethyl ester Ethyl (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydroisochromene-3-carboxylate Ethyl (1Z)-1-(trifluoromethylsulfonylimino)isochromane-3-carboxylate
Wiley ID 1530711