BENZAL DIACETATE(581-55-5) MS
Product NameBENZAL DIACETATE
CAS581-55-5
Molecular FormulaC11H12O4
Molecular Weight208.21
InChIInChI=1S/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3
InChIKey XRYSDRCNTMEYFH-UHFFFAOYSA-N
SmilesC(OC(=O)C)(OC(=O)C)C1=CC=CC=C1
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MassMS-NW-4068 benzylidene diacetate C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.6 15.0 7.6 27.0 1.1 28.0 1.3 29.0 1.1 39.0 1.6 42.0 2.1 43.0 100.0 44.0 2.2 50.0 3.9 51.0 9.6 52.0 2.4 61.0 1.0 74.0 1.0 76.0 1.0 77.0 21.0 78.0 5.5 79.0 10.9 105.0 56.9 106.0 13.8 107.0 41.9 108.0 3.4 123.0 2.8 148.0 1.7 149.0 6.3 165.0 9.5 166.0 5.2 208.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H12 O4 0.043 g : 0.5 ml CDCl3 benzylidene diacetate 
Assign. Shift(ppm)
A 7.682 B 7.62 to 7.30 C 2.112
Hz ppm Int.688.00 7.683 104 672.25 7.507 23 670.50 7.487 25 669.31 7.474 54 667.81 7.457 36 667.19 7.450 34 666.50 7.442 41 664.81 7.424 92 663.56 7.410 42 661.75 7.389 54 659.75 7.367 26 657.75 7.345 38 189.19 2.113 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
