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(4AS)-8C-(HYDROXYMETHYL)-(4AR,8AC)-TETRAHYDRO-[1,3]-DIOXINO-[5,4-D]-1,3-DIOXIN-4T-CARBOXYLIC-ACID
SpectraBase Compound ID 3bnwlDYrKAd
InChI InChI=1S/C8H12O7/c9-1-4-5-6(14-2-12-4)7(8(10)11)15-3-13-5/h4-7,9H,1-3H2,(H,10,11)/t4-,5-,6+,7-/m0/s1
InChIKey BTGUTYBGUMWGBV-YTLHQDLWSA-N
Mol Weight 220.18 g/mol
Molecular Formula C8H12O7
Exact Mass 220.058303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKPrfupKrc
Name (4AS)-8C-(HYDROXYMETHYL)-(4AR,8AC)-TETRAHYDRO-[1,3]-DIOXINO-[5,4-D]-1,3-DIOXIN-4T-CARBOXYLIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O7
InChI InChI=1S/C8H12O7/c9-1-4-5-6(14-2-12-4)7(8(10)11)15-3-13-5/h4-7,9H,1-3H2,(H,10,11)/t4-,5-,6+,7-/m0/s1
InChIKey BTGUTYBGUMWGBV-YTLHQDLWSA-N
Literature Reference Author A.H.A.TINNEMANS,H.A.BUDDING,F.STEIN,J.C.VENEKAMP
Literature Reference Citation REC.TR.CH.P.-B.,109,181(1990)
Literature Reference DOI 10.1002/recl.19901090309
Molecular Weight 220.179 g/mol
Solvent DMSO-D6
Source File Reference UWRK554