Diethyl bis(hydroxymethyl)malonate(20605-01-0) 1H NMR
Product NameDiethyl bis(hydroxymethyl)malonate
CAS20605-01-0
Molecular FormulaC9H16O6
Molecular Weight220.22
InChIInChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
InChIKey WIOHBOKEUIHYIC-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CO)(CO)C(OCC)=O
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MassMS-NW-6508 diethyl bis(hydroxymethyl)malonate C9H16O6 (Mass of molecular ion: 220)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.0 15.0 5.5 17.0 2.1 18.0 9.6 19.0 1.9 26.0 10.0 27.0 35.0 28.0 16.2 29.0 100.0 30.0 35.9 31.0 14.3 39.0 1.0 41.0 2.2 42.0 13.2 43.0 31.1 44.0 4.4 45.0 19.3 46.0 1.5 47.0 2.7 53.0 3.7 54.0 12.2 55.0 22.6 56.0 4.2 57.0 1.5 58.0 2.4 60.0 8.3 61.0 3.9 69.0 8.3 70.0 3.4 71.0 9.7 72.0 10.3 73.0 8.6 82.0 3.0 83.0 5.3 84.0 1.1 85.0 2.2 86.0 6.0 87.0 12.7 88.0 16.1 89.0 5.9 97.0 1.1 98.0 2.2 99.0 53.2 100.0 12.9 101.0 5.6 104.0 1.5 105.0 2.6 108.0 2.0 114.0 3.2 115.0 48.4 116.0 6.7 117.0 16.6 118.0 1.7 125.0 1.0 126.0 17.6 127.0 73.9 128.0 10.7 129.0 2.2 131.0 1.4 132.0 2.3 133.0 21.9 134.0 1.4 143.0 7.7 144.0 4.8 145.0 9.6 146.0 1.1 160.0 6.2 173.0 1.3 175.0 1.0 189.0 3.3 190.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H16 O6 0.046 g : 0.5 ml CDCl3 diethyl bis(hydroxymethyl)malonate 
Assign. Shift(ppm)
A 4.24 B 4.108 C 3.0 D 1.28
Hz ppm Int.391.25 4.369 140 384.13 4.290 487 381.06 4.255 35 380.63 4.251 36 380.19 4.246 36 379.56 4.239 34 377.00 4.210 523 373.19 4.167 39 369.81 4.130 246 367.75 4.107 566 266.56 2.977 63 121.75 1.360 511 116.31 1.299 31 114.69 1.281 1000 110.44 1.234 36 109.88 1.227 30 109.25 1.220 32 107.50 1.201 460
in CDCl3
KBr disc
nujol mull
