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1,3-DIMETHYL-SYN-1,3-PROPANDIOL

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1,3-DIMETHYL-SYN-1,3-PROPANDIOL
SpectraBase Compound ID JZ1OAyLzeKz
InChI InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey GTCCGKPBSJZVRZ-RFZPGFLSSA-N
Mol Weight 104.15 g/mol
Molecular Formula C5H12O2
Exact Mass 104.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4320vfaqNQM
Name (2S,4R)-2,4-PENTANEDIOL
Compound Number 1-MESO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H12O2
InChI InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey GTCCGKPBSJZVRZ-RFZPGFLSSA-N
Literature Reference Author T.KANEKO,K.OHTANI,R.KASAI,K.YAMASAKI,N.M.DUC
Literature Reference Citation PHYTOCHEM.,47,259(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00409-3
Molecular Weight 104.149 g/mol
Solvent CD3OD
Source File Reference UWMS59