5-Methoxy-3,4-dihydro-2H-naphthalen-1-one(33892-75-0) MS
Product Name5-Methoxy-3,4-dihydro-2H-naphthalen-1-one
CAS33892-75-0
Molecular FormulaC11H12O2
Molecular Weight176.21
InChIInChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3
InChIKey BRCPWISABURVIH-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C(OC)=CC=C2)CCC1
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MassMS-NW-9708 5-methoxy-3,4-dihydro-1(2H)-naphthalenone C11H12O2 (Mass of molecular ion: 176)
Source Temperature: 210 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 2.1 27.0 1.2 39.0 3.1 50.0 2.4 51.0 8.6 52.0 1.4 53.0 1.0 55.0 1.4 62.0 1.4 63.0 4.3 64.0 1.2 65.0 2.8 74.0 2.7 75.0 1.4 76.0 1.9 77.0 13.0 78.0 2.9 79.0 1.7 89.0 5.2 90.0 30.6 91.0 10.9 92.0 2.0 102.0 1.3 103.0 4.1 104.0 1.7 105.0 10.0 115.0 7.2 116.0 2.1 117.0 3.8 118.0 6.3 119.0 9.8 120.0 42.1 121.0 4.6 131.0 4.2 132.0 1.4 133.0 4.9 134.0 14.1 135.0 1.6 144.0 1.2 145.0 3.4 146.0 1.9 147.0 12.3 148.0 45.2 149.0 4.6 158.0 2.4 159.0 2.1 160.0 1.4 161.0 22.4 162.0 3.8 175.0 4.3 176.0 100.0 177.0 12.7 178.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H12 O2 0.037 g : 0.5 ml CDCl3 5-methoxy-3,4-dihydro-1(2H)-naphthalenone 
Assign. Shift(ppm)
A 7.649 B 7.262 C 7.016 D 3.859 E 2.887 F 2.621 G 2.105
Hz ppm Int.3061.65 7.661 96 3060.55 7.659 94 3053.71 7.641 108 3052.61 7.639 103 2910.28 7.283 69 2902.34 7.263 135 2894.41 7.243 73 2808.23 7.027 105 2807.13 7.024 104 2800.05 7.007 90 2799.07 7.004 89 1542.48 3.860 1000 1160.28 2.904 102 1154.05 2.888 176 1147.83 2.873 114 1054.32 2.639 140 1048.46 2.624 131 1047.85 2.622 134 1046.63 2.619 104 1041.14 2.606 154 853.88 2.137 47 847.29 2.121 102 842.90 2.110 51 841.19 2.105 122 840.82 2.104 123 836.06 2.092 41 834.47 2.089 92 828.25 2.073 39
in CDCl3
KBr disc
nujol mull
