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8-CARBOXYMETHYL-6-METHYL-2-(2-THIENYL)-4H-1-BENZOPYRAN-4-ONE

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8-CARBOXYMETHYL-6-METHYL-2-(2-THIENYL)-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID MD93vzWmuk
InChI InChI=1S/C16H12O4S/c1-9-5-10(7-15(18)19)16-11(6-9)12(17)8-13(20-16)14-3-2-4-21-14/h2-6,8H,7H2,1H3,(H,18,19)
InChIKey GFXYXTBSCKRXFB-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C16H12O4S
Exact Mass 300.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcBMo5iMCg1
Name 8-CARBOXYMETHYL-6-METHYL-2-(2-THIENYL)-4H-1-BENZOPYRAN-4-ONE
Compound Number 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O4S
InChI InChI=1S/C16H12O4S/c1-9-5-10(7-15(18)19)16-11(6-9)12(17)8-13(20-16)14-3-2-4-21-14/h2-6,8H,7H2,1H3,(H,18,19)
InChIKey GFXYXTBSCKRXFB-UHFFFAOYSA-N
Literature Reference Author R.A.AITKEN,M.C.BIBBY,J.A.DOUBLE,R.M.PHILLIPS,S.K.SHARMA
Literature Reference Citation ARCH.PHARM.,329,489(1996)
Literature Reference DOI 10.1002/ardp.19963291104
Molecular Weight 300.329 g/mol
Solvent DMSO-D6
Source File Reference UWRU10634