Hinokitiol(499-44-5) MS
Product NameHinokitiol
CAS499-44-5
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
InChIKey FUWUEFKEXZQKKA-UHFFFAOYSA-N
SmilesC1(=O)C=CC=C(C(C)C)C=C1O
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Assign. Shift(ppm)
A 9.05 B 7.46 to 7.10 C 6.95 D 2.86 E 1.272 400MHZ : HSP-42-503Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
171.37 517 1 * 170.99 478 2 * 159.96 413 3 137.25 736 4 127.63 706 5 123.29 647 6 # 122.29 701 7 # 38.94 741 8 23.39 1000 9Spectral Code: 13C NMR : in CDCl3
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Spectral Code: Raman : 4880 A,200 M,powder
