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[15-13CD3]-5,6-Dihydroartemisinic acid

View entire compound with spectra: 2 MS (GC)

[15-13CD3]-5,6-Dihydroartemisinic acid
SpectraBase Compound ID 4ntCn5DuPRc
InChI InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9?,10-,11-,12+,13-/m1/s1/i1+1D3
InChIKey NODQSJBGHNTDNJ-LMWDLBKMSA-N
Mol Weight 240.37 g/mol
Molecular Formula C1413CH212D3O2
Exact Mass 240.199815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHMBPy1UpU3
Name [15-13CD3]-5,6-Dihydroartemisinic acid
Comments Less than 3 mono-isotopic peaks; Original formula: C14[13C]H21D3O2
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9?,10-,11-,12+,13-/m1/s1/i1+1D3
InChIKey NODQSJBGHNTDNJ-LMWDLBKMSA-N
Molecular Weight 240.366 g/mol
SMILES OC([C@@]([C@@]1(C=2[C@@](CCC(C2)[13C]([2D])([2D])[2D])([C@@](CC1)(C)[H])[H])[H])(C)[H])=O
SPLASH splash10-014i-0900000000-f78a1038a9e5d4c44b8d
Source of Spectrum KC-57-8508-25
Wiley ID 1626096