OXAMIC ACID N-BUTYL ESTER(585-28-4) IR1
Product NameOXAMIC ACID N-BUTYL ESTER
CAS585-28-4
Molecular FormulaC6H11NO3
Molecular Weight145.16
InChIInChI=1S/C6H11NO3/c1-2-3-4-10-6(9)5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKey JQOLMUGUXNNIOR-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(N)=O
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MassMS-IW-9141 butyl oxamate C6H11NO3 (Mass of molecular ion: 145)
Source Temperature: 120 °C Sample Temperature: 110 °C Direct, 75 eV
16.0 1.6 17.0 1.7 18.0 7.9 26.0 1.5 27.0 12.7 28.0 7.4 29.0 69.6 30.0 1.7 31.0 5.2 39.0 8.4 40.0 1.3 41.0 66.7 42.0 3.5 43.0 5.0 44.0 44.9 45.0 4.4 46.0 14.2 53.0 1.2 55.0 10.4 56.0 22.4 57.0 100.0 58.0 4.5 59.0 1.3 72.0 1.0 73.0 6.5 74.0 1.1 75.0 2.8 86.0 3.0 90.0 3.4 101.0 2.5 117.0 6.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 N O3 0.039 g : 0.5 ml CDCl3 butyl oxamate 
Assign. Shift(ppm)
A *1 7.14 B *1 7.07 C 4.300 D 1.744 E 1.428 F 0.954
Hz ppm Int.2854.25 7.142 45 2824.83 7.069 44 1725.59 4.318 301 1718.75 4.301 586 1711.91 4.284 300 710.69 1.779 71 703.74 1.761 170 700.93 1.754 64 697.51 1.746 155 696.53 1.743 203 694.09 1.737 111 690.67 1.729 73 688.60 1.724 176 681.76 1.706 78 589.11 1.475 45 583.25 1.460 41 581.67 1.456 138 575.81 1.441 88 574.10 1.437 198 568.48 1.423 89 566.41 1.418 207 561.16 1.405 41 559.08 1.399 133 551.64 1.381 40 388.67 0.973 515 381.35 0.955 1000 373.90 0.936 446
in CDCl3
KBr disc
nujol mull
