3-METHYL-CHROMEN-2-ONE(2445-82-1) IR1
Product Name3-METHYL-CHROMEN-2-ONE
CAS2445-82-1
Molecular FormulaC10H8O2
Molecular Weight160.17
InChIInChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey VIIIJFZJKFXOGG-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC=CC=C2C=C1C
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Assign. Shift(ppm)
A 7.50 B 7.45 C 7.43 D 7.28 E 7.24 F 2.205Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
161.92 228 1 153.18 391 2 139.17 793 3 130.40 690 4 127.05 707 5 125.63 658 6 124.23 717 7 119.57 451 8 116.19 755 9 17.03 1000 10Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder