Menadiol diacetate(573-20-6) 13C NMR
Product NameMenadiol diacetate
CAS573-20-6
Molecular FormulaC15H14O4
Molecular Weight258.27
InChIInChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
InChIKey RYWSYCQQUDFMAU-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=C2C(C=CC=C2)=C(OC(=O)C)C=C1C
-
MassMS2014-05053CW 1,4-diacetoxy-2-methylnaphthalene C15H14O4 (Mass of molecular ion: 258)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 1.1 43.0 13.5 76.0 2.5 77.0 2.4 104.0 1.8 105.0 6.4 115.0 4.3 116.0 1.5 117.0 1.4 127.0 1.5 128.0 1.5 131.0 3.3 145.0 2.8 173.0 8.0 174.0 100.0 175.0 12.0 176.0 1.1 216.0 12.7 217.0 1.9 258.0 8.3 259.0 1.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H14 O4 0.040 g : 0.5 ml CDCl3 1,4-diacetoxy-2-methylnaphthalene 
Assign. Shift(ppm)
A 7.812 B 7.744 C *1 7.51 D *1 7.46 E 7.141 F *2 2.451 G *2 2.422 J 2.309
Hz ppm Int.3127.20 7.825 48 3126.59 7.824 56 3125.98 7.822 53 3124.88 7.820 43 3118.77 7.804 72 3117.68 7.802 58 3116.94 7.800 53 3100.34 7.758 47 3099.61 7.756 50 3098.63 7.754 62 3092.29 7.738 50 3091.19 7.735 64 3090.82 7.734 65 3006.84 7.524 33 3001.34 7.510 66 3000.00 7.507 65 2993.41 7.491 69 2991.58 7.486 99 2989.75 7.481 66 2984.50 7.468 31 2983.03 7.465 61 2981.81 7.462 52 2853.88 7.141 198 979.74 2.452 990 968.38 2.424 1000 923.10 2.310 648
in CDCl3
KBr disk
Nujol
4880 A,200 M,powder
