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Methyl 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]benzoate

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Methyl 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]benzoate
SpectraBase Compound ID LxvuJQl1rzT
InChI InChI=1S/C20H21NO4/c1-10(2)15-13-7-8-14(15)17-16(13)18(22)21(19(17)23)12-6-4-5-11(9-12)20(24)25-3/h4-6,9,13-14,16-17H,7-8H2,1-3H3/t13-,14+,16+,17-
InChIKey FSMPVYXFITZGDE-ULAZLLGUSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8NSlhto5iN
Name Methyl 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-10(2)15-13-7-8-14(15)17-16(13)18(22)21(19(17)23)12-6-4-5-11(9-12)20(24)25-3/h4-6,9,13-14,16-17H,7-8H2,1-3H3/t13-,14+,16+,17-
InChIKey FSMPVYXFITZGDE-ULAZLLGUSA-N
Molecular Weight 339.391 g/mol
SMILES COC(C=1C=C(N2C([C@@]3([C@]4(CC[C@](C4=C(C)C)([C@]3(C2=O)[H])[H])[H])[H])=O)C=CC1)=O