Molecular FormulaC16H16O4
Molecular Weight272.3
InChIInChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
InChIKey LRRQSCPPOIUNGX-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(OC)C=C1)C(O)C1=CC=C(OC)C=C1
Mass
MS-NW-7099 p-anisoin C16H16O4 (Mass of molecular ion: 272)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
39.0 1.9 50.0 1.2 51.0 1.9 63.0 2.4 64.0 3.7 65.0 2.2 66.0 3.0 76.0 1.1 77.0 15.9 78.0 2.2 79.0 1.6 92.0 7.0 94.0 6.9 107.0 5.0 108.0 1.1 109.0 12.1 135.0 60.2 136.0 8.5 137.0 100.0 138.0 8.8 272.0 3.2
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C16 H16 O4 | 0.040 g : 0.5 ml CDCl3 |
p-anisoin |
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Assign. Shift(ppm) |
Hz ppm Int.
3162.35 7.913 30 3159.42 7.906 232 3157.35 7.901 72 3152.47 7.889 72 3150.39 7.883 247 3147.46 7.876 36 2900.39 7.258 208 2898.32 7.253 68 2893.80 7.241 68 2891.60 7.236 230 2888.55 7.228 32 2744.26 6.867 32 2741.21 6.860 238 2739.26 6.855 97 2736.21 6.847 238 2734.25 6.842 135 2732.18 6.837 242 2729.49 6.830 95 2727.54 6.825 221 2724.37 6.817 33 2337.52 5.849 65 2337.28 5.849 65 1517.58 3.798 951 1493.41 3.737 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
ANISOIN(119-52-8) 13C NMR Atlas of Related Products
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