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Dihydrosamidin
SpectraBase Compound ID HS2lCoJBb82
InChI InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1
InChIKey ALKTVPFKDYZFGA-WOJBJXKFSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v0TCjl8Yfl
Name Dihydrosamidin
Comments Computed using HOSE algorithm
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Exact Mass 388.152203106 u
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1
InChIKey ALKTVPFKDYZFGA-WOJBJXKFSA-N
Molecular Weight 388.416 g/mol
SMILES CC(=O)O[C@]1([C@](C(C)(C)OC2=C1C=1OC(=O)C=CC1C=C2)(OC(=O)CC(C)C)[H])[H]