2-Tetrahydrofuroic acid(16874-33-2) MS
Product Name2-Tetrahydrofuroic acid
CAS16874-33-2
Molecular FormulaC5H8O3
Molecular Weight116.12
InChIInChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
InChIKey UJJLJRQIPMGXEZ-UHFFFAOYSA-N
SmilesO1CCCC1C(O)=O
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MassMS-IW-9181 tetrahydro-2-furancarboxylic acid C5H8O3 (Mass of molecular ion: 116)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 18.0 3.2 26.0 1.7 27.0 20.8 28.0 9.0 29.0 10.7 31.0 2.7 38.0 1.9 39.0 15.4 40.0 4.8 41.0 43.2 42.0 13.8 43.0 63.6 44.0 8.1 45.0 6.2 55.0 1.7 58.0 1.1 68.0 1.6 69.0 4.3 70.0 5.1 71.0 100.0 72.0 4.7 73.0 1.1 88.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O3 0.05 ml : 0.5 ml CDCl3 tetrahydro-2-furancarboxylic acid 
Assign. Shift(ppm)
A 11.1 B 4.529 C *1 4.041 D *1 3.951 E *2 2.321 F *2 2.104 G 1.97
Hz ppm Int.4419.44 11.059 1000 1817.01 4.547 887 1811.70 4.534 941 1808.59 4.526 911 1803.09 4.512 854 1626.52 4.070 361 1619.74 4.053 724 1618.46 4.050 671 1611.50 4.033 994 1604.72 4.016 537 1589.52 3.978 516 1582.92 3.961 875 1576.15 3.944 632 1574.87 3.941 628 1570.47 3.930 65 1568.09 3.924 351 946.79 2.370 192 939.64 2.352 285 938.55 2.349 395 933.97 2.337 300 931.58 2.331 424 930.30 2.328 329 927.19 2.321 361 925.72 2.317 537 923.16 2.310 288 918.95 2.300 529 917.30 2.296 361 910.52 2.279 287 857.22 2.145 232 851.54 2.131 313 850.08 2.128 490 844.58 2.114 629 843.12 2.110 452 837.44 2.096 683 831.94 2.082 397 830.48 2.079 332 824.80 2.064 286 814.18 2.038 62 807.40 2.021 140 801.90 2.007 328 798.61 1.999 360 795.13 1.990 758 791.65 1.981 749 790.36 1.978 552 788.35 1.973 905 784.87 1.964 766 783.59 1.961 746 781.57 1.956 655 778.09 1.947 415 776.81 1.944 598 774.61 1.939 249 772.78 1.934 167 771.31 1.930 167 770.03 1.927 227 765.82 1.917 55 764.54 1.914 98
in CDCl3
liquid film
