1-Naphthyl acetate(830-81-9) Raman
Product Name1-Naphthyl acetate
CAS830-81-9
Molecular FormulaC12H10O2
Molecular Weight186.21
InChIInChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKey VGKONPUVOVVNSU-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=C2C(C=CC=C2)=CC=C1
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MassMS-NW-3887 1-naphthyl acetate C12H10O2 (Mass of molecular ion: 186)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.9 28.0 1.3 39.0 1.9 43.0 10.6 50.0 1.0 51.0 1.0 62.0 1.5 63.0 3.4 65.0 1.6 88.0 1.0 89.0 3.3 114.0 1.5 115.0 26.2 116.0 16.8 117.0 1.5 127.0 1.0 143.0 1.3 144.0 100.0 145.0 11.2 186.0 11.1 187.0 1.5
parameter in CDCl3
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1H NMR 300 MHz C12 H10 O2 in CDCl3 1-naphthyl acetate 
Parameter ppm Hz
D(A) 7.17 D(B) 7.43 D(C) 7.57 D(D) 7.70 D(E) 7.25 D(F) 7.39 D(G) 7.83 J(A,B) 7.5 J(A,C) 1.6 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 8.4 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(B,G) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0.6 J(D,E) 8.5 J(D,F) 1.2 J(D,G) 0.4 J(E,F) 7.1 J(E,G) 1.8 J(F,G) 8.7 D(H) 2.200 GRANGER,P. & MAUGRAS,M. ORG.MAGN.RESON. 7, 598 (1975)
Hz ppm Int.2354.43 7.848 55 2352.59 7.842 55 2345.76 7.819 63 2343.92 7.813 64 2314.97 7.717 70 2313.86 7.713 68 2306.45 7.688 76 2305.45 7.685 78 2276.71 7.589 45 2276.18 7.587 47 2275.08 7.584 51 2274.61 7.582 48 2268.30 7.561 70 2267.83 7.559 73 2266.67 7.556 74 2266.20 7.554 71 2236.66 7.456 93 2229.25 7.431 117 2228.36 7.428 77 2225.68 7.419 44 2224.47 7.415 44 2220.85 7.403 79 2218.59 7.395 62 2217.27 7.391 77 2215.80 7.386 40 2209.92 7.366 52 2208.71 7.362 49 2183.27 7.278 55 2181.43 7.271 55 2176.18 7.254 43 2174.76 7.249 63 2173.02 7.243 51 2167.72 7.226 36 2165.93 7.220 34 2155.37 7.185 97 2153.74 7.179 95 2147.90 7.160 81 2146.33 7.154 79 660.02 2.200 1000
in CDCl3
KBr disc
nujol mull
