2-Butoxyacetic acid(2516-93-0) IR1
Product Name2-Butoxyacetic acid
CAS2516-93-0
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey AJQOASGWDCBKCJ-UHFFFAOYSA-N
SmilesC(O)(=O)COCCCC
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MassMS-IW-4024 butoxyacetic acid C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 8.5 28.0 5.3 29.0 36.9 30.0 1.2 31.0 21.9 39.0 6.1 40.0 1.0 41.0 46.2 42.0 6.4 43.0 9.6 44.0 3.0 45.0 6.9 49.0 1.0 53.0 1.1 55.0 31.2 56.0 14.6 57.0 100.0 58.0 7.1 59.0 5.8 60.0 34.9 61.0 28.0 71.0 4.6 72.0 4.7 73.0 29.2 74.0 1.4 77.0 2.1 86.0 1.2 87.0 20.1 88.0 1.1 89.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O3 0.05 ml : 0.5 ml CDCl3 butoxyacetic acid 
Assign. Shift(ppm)
A 10.35 B 4.136 C 3.566 D 1.617 E 1.395 F 0.929
Hz ppm Int.4136.96 10.352 83 1653.29 4.137 1000 1432.19 3.584 317 1425.48 3.567 566 1418.76 3.551 328 660.10 1.652 66 652.92 1.634 167 650.48 1.628 69 646.97 1.619 174 646.21 1.617 201 643.77 1.611 126 638.28 1.598 180 631.56 1.581 86 575.56 1.441 50 570.07 1.427 41 568.24 1.422 144 562.59 1.408 92 560.61 1.403 197 555.11 1.389 93 552.98 1.384 202 547.79 1.371 43 545.65 1.366 135 538.33 1.348 44 378.57 0.948 486 371.25 0.929 810 363.77 0.911 414
in CDCl3
liquid film
