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Brevianamide F, N,N'-bis-acetyl
SpectraBase Compound ID D8XGXQ6VfiK
InChI InChI=1S/C20H21N3O4/c1-12(24)22-11-14(15-6-3-4-7-16(15)22)10-18-19(26)21-9-5-8-17(21)20(27)23(18)13(2)25/h3-4,6-7,11,17-18H,5,8-10H2,1-2H3/t17-,18-/m0/s1
InChIKey NAWAXBKFKMMJTM-ROUUACIJSA-N
Mol Weight 367.41 g/mol
Molecular Formula C20H21N3O4
Exact Mass 367.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BY0arOQCbYT
Name Brevianamide F, N,N'-bis-acetyl
Comments Computed using HOSE algorithm
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Exact Mass 367.153206164 u
Formula C20H21N3O4
InChI InChI=1S/C20H21N3O4/c1-12(24)22-11-14(15-6-3-4-7-16(15)22)10-18-19(26)21-9-5-8-17(21)20(27)23(18)13(2)25/h3-4,6-7,11,17-18H,5,8-10H2,1-2H3/t17-,18-/m0/s1
InChIKey NAWAXBKFKMMJTM-ROUUACIJSA-N
Molecular Weight 367.405 g/mol
SMILES [C@]12([H])CCCN2C(=O)[C@@](N(C(C)=O)C1=O)(CC=1C2=C(C=CC=C2)N(C(C)=O)C1)[H]