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4-(3-Acetylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

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4-(3-Acetylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
SpectraBase Compound ID K0tMANgdFHX
InChI InChI=1S/C20H21NO3/c1-10(2)16-14-7-8-15(16)18-17(14)19(23)21(20(18)24)13-6-4-5-12(9-13)11(3)22/h4-6,9,14-15,17-18H,7-8H2,1-3H3/t14-,15+,17?,18?
InChIKey NVUNITSESMJPAG-BXXOZEPKSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jy2VI5bDiO
Name 4-(3-Acetylphenyl)-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.152143537 u
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-10(2)16-14-7-8-15(16)18-17(14)19(23)21(20(18)24)13-6-4-5-12(9-13)11(3)22/h4-6,9,14-15,17-18H,7-8H2,1-3H3/t14-,15+,17?,18?
InChIKey NVUNITSESMJPAG-BXXOZEPKSA-N
Molecular Weight 323.392 g/mol
SMILES CC(C1=CC(N2C(C3[C@]4(CC[C@](C4=C(C)C)(C3C2=O)[H])[H])=O)=CC=C1)=O