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[(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl] benzoate
SpectraBase Compound ID 4elsfq8AF9s
InChI InChI=1S/C16H20O7/c1-16(2)22-13-12(11(10(18)8-17)21-15(13)23-16)20-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1
InChIKey FVMGHHSPTSHJCW-ZHZXCYKASA-N
Mol Weight 324.33 g/mol
Molecular Formula C16H20O7
Exact Mass 324.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdrpPHXF5Ii
Name [(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl] benzoate
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O7
InChI InChI=1S/C16H20O7/c1-16(2)22-13-12(11(10(18)8-17)21-15(13)23-16)20-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1
InChIKey FVMGHHSPTSHJCW-ZHZXCYKASA-N
Literature Reference Author Y.TSUDA,K.SHIBAYAMA
Literature Reference Citation CHEM.PHARM.BULL.,44,1476(1996)
Literature Reference DOI 10.1248/cpb.44.1476
Molecular Weight 324.331 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ17331