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N-[(1S,2S)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-4-methylbenzamide

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N-[(1S,2S)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-4-methylbenzamide
SpectraBase Compound ID DZtbXEQNEbv
InChI InChI=1S/C17H16N2O3/c1-9-2-4-10(5-3-9)15(20)18-19-16(21)13-11-6-7-12(8-11)14(13)17(19)22/h2-7,11-14H,8H2,1H3,(H,18,20)/t11-,12+,13+,14?/m1/s1
InChIKey ZNWIWIYIMNMRPZ-PYXFJAETSA-N
Mol Weight 296.33 g/mol
Molecular Formula C17H16N2O3
Exact Mass 296.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CH8nd7C2Kd1
Name N-[(1S,2S)-3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-4-methylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.116092380 u
Formula C17H16N2O3
InChI InChI=1S/C17H16N2O3/c1-9-2-4-10(5-3-9)15(20)18-19-16(21)13-11-6-7-12(8-11)14(13)17(19)22/h2-7,11-14H,8H2,1H3,(H,18,20)/t11-,12+,13+,14?/m1/s1
InChIKey ZNWIWIYIMNMRPZ-PYXFJAETSA-N
Molecular Weight 296.326 g/mol
SMILES N(N1C(C2[C@]3(C=C[C@@]([C@@]2(C1=O)[H])(C3)[H])[H])=O)C(C1=CC=C(C=C1)C)=O