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(4R,5S)-Dimethyl 1-methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(4R,5S)-Dimethyl 1-methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylate
SpectraBase Compound ID KzaGr2OSfKZ
InChI InChI=1S/C17H16N2O6/c1-19-15(17(22)24-3)13(16(21)23-2)14(18-19)10-8-12(20)25-11-7-5-4-6-9(10)11/h4-8,13,15H,1-3H3/t13-,15-/m0/s1
InChIKey NRPHOOGXFBQAMB-ZFWWWQNUSA-N
Mol Weight 344.32 g/mol
Molecular Formula C17H16N2O6
Exact Mass 344.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pdeupqc5x6
Name (4R,5S)-Dimethyl 1-methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O6
InChI InChI=1S/C17H16N2O6/c1-19-15(17(22)24-3)13(16(21)23-2)14(18-19)10-8-12(20)25-11-7-5-4-6-9(10)11/h4-8,13,15H,1-3H3/t13-,15-/m0/s1
InChIKey NRPHOOGXFBQAMB-ZFWWWQNUSA-N
Molecular Weight 344.323 g/mol
SMILES C1(=NN(C)[C@@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])C=1c2c(cccc2)OC(C1)=O
SPLASH splash10-052f-0096000000-65e92d0f924be47d4eda
Source of Spectrum Y-38-722-15
Synonyms Dimethyl (4R,5S)-1-methyl-3-(2-oxo-2H-chromen-4-yl)-4,5-dihydro-1H-pyrazole-4,5-dicarboxylate Dimethyl 1-methyl-3-(2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylate
Wiley ID 848482