12-Crown-4(294-93-9) 1H NMR
Product Name12-Crown-4
CAS294-93-9
Molecular FormulaC8H16O4
Molecular Weight176.21
InChIInChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKey XQQZRZQVBFHBHL-UHFFFAOYSA-N
SmilesO1CCOCCOCCOCC1
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MassMS-NW-5833 12-crown-4 C8H16O4 (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 8.5 18.0 1.3 19.0 2.1 26.0 1.9 27.0 9.2 28.0 26.0 29.0 10.1 30.0 2.7 31.0 10.7 41.0 3.1 42.0 9.6 43.0 38.0 44.0 34.3 45.0 100.0 46.0 2.6 56.0 1.4 57.0 8.1 58.0 14.9 59.0 11.8 60.0 1.1 61.0 2.5 70.0 4.8 71.0 4.2 72.0 8.8 73.0 16.6 74.0 2.5 75.0 5.4 86.0 3.5 87.0 14.1 88.0 10.3 89.0 26.4 90.0 1.4 101.0 5.3 102.0 2.4 103.0 1.6 104.0 1.0 117.0 1.3 133.0 4.2
parameter in CDCl3
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1H NMR 300 MHz C8 H16 O4 0.04 ml : 0.5 ml CDCl3 12-crown-4 
Parameter ppm Hz
D(A) 3.703
Hz ppm Int.1110.90 3.703 1000
in CDCl3
liquid film
4880 A,200 M,liquid
