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499-44-5

桧木醇(499-44-5)核磁图(13CNMR)

产品名称:桧木醇

CAS:499-44-5

分子式:C10H12O2

分子量: 164.2

InChI:InChI=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

Smiles:C1(=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-42-503
    Spectral 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 9
    Spectral Code: 13C NMR : in CDCl3

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    Spectral Code: Raman : 4880 A,200 M,powder

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