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
Mass
MS-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
1H NMR | 89.56 MHz |
C11 H12 O4 | 0.043 g : 0.5 ml CDCl3 |
benzylidene diacetate |
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Assign. Shift(ppm) |
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
BENZAL DIACETATE(581-55-5) Raman Atlas of Related Products
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