5-Methoxy-1-indanone(5111-70-6) 13C NMR
Product Name5-Methoxy-1-indanone
CAS5111-70-6
Molecular FormulaC10H10O2
Molecular Weight162.19
InChIInChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3
InChIKey QOPRWBRNMPANKN-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C(OC)C=C2)CC1
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MassMS-NW-8701 5-methoxy-1-indanone C10H10O2 (Mass of molecular ion: 162)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 1.3 38.0 1.3 39.0 4.4 41.0 1.1 50.0 3.0 51.0 5.5 52.0 1.4 53.0 1.1 62.0 3.2 63.0 10.9 64.0 2.7 65.0 7.5 74.0 2.4 75.0 2.7 76.0 2.2 77.0 6.5 78.0 3.4 79.0 1.8 81.0 1.0 89.0 6.1 90.0 4.4 91.0 15.5 92.0 2.4 102.0 2.4 103.0 5.6 104.0 7.0 105.0 3.2 106.0 9.8 107.0 1.1 118.0 3.9 119.0 11.7 120.0 1.1 131.0 1.9 132.0 1.4 133.0 9.0 134.0 28.9 135.0 4.0 147.0 3.3 161.0 55.5 162.0 100.0 163.0 10.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H10 O2 0.052 g : 0.5 ml DMSO-d6 5-methoxy-1-indanone 
Assign. Shift(ppm)
A 7.560 B 7.078 C 6.955 D 3.863 E 3.040 F 2.58
Hz ppm Int.3025.88 7.572 131 3017.46 7.551 140 2829.83 7.081 102 2827.88 7.076 107 2784.91 6.969 78 2782.59 6.963 70 2776.37 6.948 73 2774.05 6.942 66 1543.82 3.863 1000 1221.07 3.056 82 1215.33 3.041 96 1209.35 3.027 94 1036.13 2.593 164 1033.69 2.587 55 1032.23 2.583 85 1030.15 2.578 134 1028.32 2.574 86 1026.86 2.570 52 1024.29 2.563 137
in DMSO-d6
KBr disc
nujol mull
