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3-{[(1-adamantyl)amino]methylene}-2,4-chromandione

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 UV-Vis

3-{[(1-adamantyl)amino]methylene}-2,4-chromandione
SpectraBase Compound ID K2wtRyFFmqC
InChI InChI=1S/C20H21NO3/c22-18-15-3-1-2-4-17(15)24-19(23)16(18)11-21-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14,21H,5-10H2/t12-,13+,14-,20-
InChIKey JNCHWVCZINRUFZ-OYEQCZOJSA-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 IuzfM3mBsuX
Name 3-{[(1-adamantyl)amino]methylene}-2,4-chromandione
Comments Computed using HOSE algorithm
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Exact Mass 323.152143537 u
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c22-18-15-3-1-2-4-17(15)24-19(23)16(18)11-21-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14,21H,5-10H2/t12-,13+,14-,20-
InChIKey JNCHWVCZINRUFZ-OYEQCZOJSA-N
SMILES N(C=C1C(OC=2C=CC=CC2C1=O)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]