methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

m 1170

Formula: C6H12O4

Canonical Smiles: OCC(C(=O)OC)(CO)C

Inchi: InChI=1S/C6H12O4/c1-6(3-7,4-8)5(9)10-2/h7-8H,3-4H2,1-2H3

Inchikey: RQEPEDPOJQCJJT-UHFFFAOYSA-N

Mass: 148.07

Crosslinks: Pubchem

Publication (8 months ago)

Authors:

Steven Susanto

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Bräse)

DOI: 10.14272/RQEPEDPOJQCJJT-UHFFFAOYSA-N

Characterization

Thumb ir ssu1433

IR

FTIR (ATR): ṽ = 3377, 2951, 2883, 1711, 1458, 1435, 1371, 1297, 1223, 1130, 1033, 908, 868, 805, 665, 548 cm–1

DOI: 10.14272/RQEPEDPOJQCJJT-UHFFFAOYSA-N/IR.1

Thumb 1433 proton

NMR/1H/CDCl3/500

1H NMR (500 MHz, CHLOROFORM-d, ppm)  δ =  1.06 (s, 3 H), 3.11 (bs, 2 H), 3.70 (d, J = 11.10 Hz, 2 H), 3.75 (s, 3 H), 3.88 (d, J = 11.10 Hz, 2 H)

DOI: 10.14272/RQEPEDPOJQCJJT-UHFFFAOYSA-N/NMR/1H/CDCl3/500.1

Npig%3d&expires=1506442777

NMR/13C/CDCl3/125

13C NMR (125 MHz, CHLOROFORM-d, ppm) δ = 17.1, 49.1, 52.2, 67.8, 176.3.

DOI: 10.14272/RQEPEDPOJQCJJT-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1


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