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o,o-Diacetylpancracine

View entire compound with spectra: 1 NMR

o,o-Diacetylpancracine
SpectraBase Compound ID 2Dytq6LHaJO
InChI InChI=1S/C20H21NO6/c1-10(22)26-19-5-14-15-8-21(16(14)6-20(19)27-11(2)23)7-12-3-17-18(4-13(12)15)25-9-24-17/h3-5,15-16,19-20H,6-9H2,1-2H3/t15-,16-,19-,20-/m0/s1
InChIKey VKJFTVNIMCOQOP-FVCZOJIISA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMXJF6JXABe
Name o,o-Diacetylpancracine
Comments Computed using HOSE algorithm
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Exact Mass 371.136887394 u
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-10(22)26-19-5-14-15-8-21(16(14)6-20(19)27-11(2)23)7-12-3-17-18(4-13(12)15)25-9-24-17/h3-5,15-16,19-20H,6-9H2,1-2H3/t15-,16-,19-,20-/m0/s1
InChIKey VKJFTVNIMCOQOP-FVCZOJIISA-N
Molecular Weight 371.389 g/mol
SMILES C12=C(C=C3C(=C2)CN2C[C@@]3(C=3[C@@]2(C[C@@]([C@](C3)(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])OCO1