Coumarin-3-carboxylic acid(531-81-7) Raman
Product NameCoumarin-3-carboxylic acid
CAS531-81-7
Molecular FormulaC10H6O4
Molecular Weight190.15
InChIInChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChIKey ACMLKANOGIVEPB-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC=CC=C2C=C1C(O)=O
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H6 O4 0.040 g : 0.5 ml DMSO-d6 2-oxo-2H-chromene-3-carboxylic acid 
Assign. Shift(ppm)
A 13. B 8.763 C 7.923 D 7.748 E 7.45 F 7.423
Hz ppm Int.3502.28 8.764 1000 3171.29 7.936 297 3169.79 7.932 321 3163.38 7.916 327 3162.10 7.913 336 3105.90 7.772 176 3104.19 7.768 178 3098.42 7.753 243 3097.35 7.751 319 3095.85 7.747 251 3090.09 7.732 235 3088.59 7.729 224 2981.75 7.461 437 2973.84 7.442 536 2967.43 7.426 412 2966.58 7.423 377 2959.95 7.407 216 2958.88 7.404 200
KBr disc
nujol mull
4880 A,200 M,powder
