1-NAPHTHOIC ACID METHYL ESTER(2459-24-7) MS
Product Name1-NAPHTHOIC ACID METHYL ESTER
CAS2459-24-7
Molecular FormulaC12H10O2
Molecular Weight186.21
InChIInChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKey HMRROBKAACRWBP-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=C2C(C=CC=C2)=CC=C1
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MassMS-IW-8197 methyl 1-naphthoate C12H10O2 (Mass of molecular ion: 186)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
50.0 2.0 51.0 3.1 62.0 1.1 63.0 5.7 63.5 6.3 64.0 1.1 74.0 3.2 75.0 4.6 76.0 2.3 77.0 6.9 77.5 2.4 87.0 1.2 98.0 1.1 101.0 4.6 114.0 1.2 115.0 1.7 125.0 1.2 126.0 12.0 127.0 72.7 128.0 10.0 141.0 1.2 154.0 1.8 155.0 100.0 156.0 12.7 171.0 1.1 186.0 67.1 187.0 8.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 O2 0.05 ml : 0.5 ml CDCl3 methyl 1-naphthoate 
Assign. Shift(ppm)
A 8.928 B 8.130 C 7.916 D 7.793 E 7.566 F 7.460 G 7.398 J 3.929
Hz ppm Int.3572.85 8.940 81 3572.24 8.939 81 3564.15 8.919 85 3563.39 8.917 86 3253.94 8.142 95 3252.56 8.139 100 3246.61 8.124 103 3245.39 8.121 106 3168.03 7.928 81 3159.79 7.907 89 3118.74 7.804 73 3110.50 7.784 84 3032.68 7.589 44 3031.31 7.585 46 3025.97 7.572 64 3024.29 7.568 84 3022.61 7.564 47 3017.27 7.550 63 3015.75 7.546 59 2989.04 7.480 64 2987.98 7.477 66 2982.18 7.462 54 2980.96 7.459 98 2979.74 7.456 63 2974.09 7.442 45 2973.02 7.440 43 2964.17 7.417 99 2956.85 7.399 111 2956.09 7.397 111 2948.76 7.379 91 1570.28 3.930 1000
in CDCl3
liquid film
