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498-15-7

(1S)-(+)-3-蒈烯(498-15-7)核磁图(1HNMR)

产品名称:(1S)-(+)-3-蒈烯

CAS:498-15-7

分子式:C10H16

分子量: 136.23

InChI:InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1

InChIKey: BQOFWKZOCNGFEC-BDAKNGLRSA-N

Smiles:[C@]12([H])[C@]([H])(C1(C)C)CC=C(C)C2

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        Assign.     Shift(ppm)
    A 5.23 B 2.62 to 1.41 C 1.60 D *1 1.022 E *1 0.761 F 0.80 to 0.47
    Spectral Code: 1H NMR : 90 MHz in CDCl3

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           ppm   Int.  Assign.
    131.30 543 1 119.56 924 2 28.42 772 3 * 24.93 1000 4 23.63 848 5 20.89 989 6 18.71 859 7 16.90 962 8 # 16.78 859 9 # 13.20 658 10 *
    Spectral Code: 13C NMR : in CDCl3

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    Spectral Code: IR : liquid film

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

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