4-Formylcinnamic acid(23359-08-2) IR1
Product Name4-Formylcinnamic acid
CAS23359-08-2
Molecular FormulaC10H8O3
Molecular Weight176.17
InChIInChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)
InChIKey LBOUHDMYVURTMA-UHFFFAOYSA-N
SmilesC(O)(=O)C=CC1=CC=C(C=O)C=C1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H8 O3 0.040 g : 0.5 ml DMSO-d6 p-formylcinnamic acid 
Assign. Shift(ppm)
A 12.7 B 10.050 C *1 7.949 D *1 7.934 E 7.687 F 6.726
Hz ppm Int.5064.19 12.672 31 5063.45 12.670 33 5062.36 12.667 35 5059.24 12.660 38 5058.14 12.657 39 5057.59 12.656 39 5057.23 12.655 39 5056.68 12.653 39 5056.13 12.652 39 5055.76 12.651 39 5055.21 12.650 38 5054.84 12.649 38 5054.29 12.647 37 5053.93 12.646 37 5053.38 12.645 37 5052.83 12.644 36 5052.10 12.642 34 5051.73 12.641 34 5051.00 12.639 32 5050.63 12.638 32 4016.84 10.051 777 3184.35 7.968 164 3175.74 7.947 1000 3172.44 7.939 880 3163.83 7.917 153 3080.68 7.709 313 3064.74 7.669 340 2695.84 6.746 396 2679.91 6.706 368
KBr disc
