(S)-(-)-Tetrahydro-2-furoic acid(87392-07-2) MS
Product Name(S)-(-)-Tetrahydro-2-furoic acid
CAS87392-07-2
Molecular FormulaC5H8O3
Molecular Weight116.12
InChIInChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKey UJJLJRQIPMGXEZ-BYPYZUCNSA-N
SmilesO1CCC[C@H]1C(O)=O
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MassMS-IW-9715 (S)-(-)-tetrahydro-2-furancarboxylic acid C5H8O3 (Mass of molecular ion: 116)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.6 18.0 4.6 26.0 2.3 27.0 18.5 28.0 7.0 29.0 9.3 31.0 2.2 38.0 1.4 39.0 11.5 40.0 3.4 41.0 35.4 42.0 13.1 43.0 57.0 44.0 7.4 45.0 5.5 53.0 1.0 55.0 1.9 58.0 1.1 68.0 1.8 69.0 2.5 70.0 2.0 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 (S)-(-)-tetrahydro-2-furancarboxylic acid 
Assign. Shift(ppm)
A 9.58 B 4.522 C *1 4.036 D *1 3.948 E *2 2.318 F *2 2.101 G 1.965
Hz ppm Int.3827.97 9.579 458 1814.27 4.540 890 1808.62 4.526 941 1805.73 4.519 909 1800.08 4.505 868 1625.06 4.067 364 1618.19 4.050 721 1616.82 4.046 644 1611.33 4.032 551 1609.95 4.029 1000 1603.24 4.012 555 1587.83 3.974 533 1581.12 3.957 885 1574.40 3.940 637 1573.03 3.937 621 1566.16 3.919 361 945.59 2.367 192 938.57 2.349 279 937.35 2.346 379 932.92 2.335 298 930.33 2.328 411 929.11 2.325 326 926.06 2.318 360 924.68 2.314 515 922.09 2.308 314 917.82 2.297 532 916.29 2.293 347 909.58 2.276 299 855.71 2.142 234 850.07 2.128 305 848.54 2.124 488 842.90 2.110 633 841.52 2.106 424 835.88 2.092 691 830.38 2.078 404 828.86 2.074 325 823.36 2.061 298 805.66 2.016 145 800.32 2.003 336 797.27 1.995 368 793.46 1.986 771 790.25 1.978 748 789.18 1.975 503 786.74 1.969 906 783.54 1.961 783 782.32 1.958 729 779.88 1.952 635 776.67 1.944 418 775.45 1.941 611 772.86 1.934 230 771.48 1.931 165 769.96 1.927 160 768.74 1.924 237
in CDCl3
liquid film
