Cyclopropanecarboxylic acid(1759-53-1) MS
Product NameCyclopropanecarboxylic acid
CAS1759-53-1
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKey YMGUBTXCNDTFJI-UHFFFAOYSA-N
SmilesC1(C(O)=O)CC1
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MassMS-NW-2864 cyclopropanecarboxylic acid C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.8 15.0 4.2 18.0 1.7 25.0 1.4 26.0 7.5 27.0 21.1 28.0 5.1 29.0 6.8 30.0 1.4 31.0 3.2 36.0 1.0 37.0 7.5 38.0 13.1 39.0 100.0 40.0 26.8 41.0 97.1 42.0 47.0 43.0 15.2 44.0 7.4 45.0 31.6 53.0 2.0 55.0 12.5 56.0 1.0 57.0 10.5 58.0 36.0 59.0 1.1 60.0 3.6 68.0 34.6 69.0 21.1 71.0 9.0 85.0 72.4 86.0 8.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H6 O2 0.05 ml : 0.5 ml CDCl3 cyclopropanecarboxylic acid 
Assign. Shift(ppm)
A 12.1 B 2.766 C *1 1.91 D *1 1.84 E *2 1.716 F *2 1.597
Hz ppm Int.
4834.13 12.096 181 1114.39 2.789 569 1113.65 2.787 565 1105.96 2.768 1000 1098.45 2.749 609 1097.72 2.747 618 771.50 1.931 624 766.37 1.918 566 765.09 1.915 592 763.44 1.911 838 759.77 1.902 653 758.31 1.898 718 751.17 1.880 697 749.88 1.877 644 743.29 1.860 835 738.34 1.848 687 735.96 1.842 968 730.65 1.829 632 728.64 1.824 609 693.65 1.736 551 690.17 1.727 651 689.26 1.725 710 685.41 1.716 830 678.63 1.699 676 644.01 1.612 781 641.08 1.605 522 639.80 1.601 742 637.42 1.595 944 635.40 1.590 534 632.29 1.583 752
in CDCl3
liquid film
4880 A,200 M,liquid
