D-樟腦酸(124-83-4)質(zhì)譜(MS)
InChI:InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m1/s1
InChIKey: LSPHULWDVZXLIL-LDWIPMOCSA-N
Smiles:[C@]1(C)(C(O)=O)CC[C@H](C(O)=O)C1(C)C
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Assign. Shift(ppm)
A 12.1
B 2.737
C 2.371
D *1 1.979
E *1 1.716
F 1.370
G *2 1.201
J *2 1.135
K 0.768
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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Spectral Code: Raman : 4880 A,200 M,powder