dibutyl 2,2'-oxybisacetate(6634-18-0) 13C NMR
Product Namedibutyl 2,2'-oxybisacetate
CAS6634-18-0
Molecular FormulaC12H22O5
Molecular Weight246.3
InChIInChI=1S/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3
InChIKey GYTOWSMQXHCYNU-UHFFFAOYSA-N
SmilesO(CC(OCCCC)=O)CC(OCCCC)=O
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MassMS-IW-3502 dibutyl oxydiacetate C12H22O5 (Mass of molecular ion: 246)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.0 27.0 9.6 28.0 5.8 29.0 46.0 30.0 1.4 31.0 12.6 39.0 6.2 40.0 1.0 41.0 53.0 42.0 13.2 43.0 10.1 44.0 7.6 45.0 4.9 53.0 1.0 55.0 9.5 56.0 93.7 57.0 93.1 58.0 5.4 59.0 2.0 60.0 42.5 61.0 62.4 62.0 1.7 63.0 2.0 69.0 5.1 71.0 3.8 72.0 1.2 73.0 1.4 87.0 2.5 88.0 5.5 89.0 100.0 90.0 4.2 91.0 2.9 101.0 5.4 103.0 1.3 116.0 53.1 117.0 8.2 118.0 1.0 134.0 4.8 135.0 5.1 145.0 11.7 146.0 1.0 172.0 4.6 173.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H22 O5 0.05 ml : 0.5 ml CDCl3 dibutyl oxydiacetate 
Assign. Shift(ppm)
A 4.240 B 4.174 C 1.640 D 1.386 E 0.938
Hz ppm Int.1694.46 4.240 1000 1674.80 4.191 307 1668.21 4.175 553 1661.38 4.158 309 670.04 1.677 73 663.21 1.660 201 660.64 1.654 79 656.25 1.643 243 653.93 1.637 152 648.32 1.623 209 641.48 1.606 98 572.63 1.433 54 565.19 1.415 167 559.45 1.400 105 557.50 1.395 243 552.00 1.382 107 549.93 1.377 247 544.68 1.363 53 542.60 1.358 160 535.28 1.340 51 382.57 0.958 524 379.03 0.949 79 375.24 0.939 863 371.95 0.931 118 367.80 0.921 436 364.62 0.913 65
in CDCl3
liquid film
