2-Methylcumarone(4265-25-2) 13C NMR
Product Name2-Methylcumarone
CAS4265-25-2
Molecular FormulaC9H8O
Molecular Weight132.16
InChIInChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
InChIKey GBGPVUAOTCNZPT-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2C=C1C
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Assign. Shift(ppm)
A 7.456 B 7.395 C 7.19 D 7.16 E 6.355 F 2.441 J(E,F)=1.1HZ.Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
155.36 512 1 154.82 388 2 129.25 423 3 123.06 915 4 122.43 1000 5 120.07 831 6 110.63 861 7 102.59 791 8 13.95 552 9Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
