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2-(1-Adamantyl)-1-isoindolinone

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2-(1-Adamantyl)-1-isoindolinone
SpectraBase Compound ID 8hznzQH2hMf
InChI InChI=1S/C18H21NO/c20-17-16-4-2-1-3-15(16)11-19(17)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2/t12-,13+,14-,18-
InChIKey FWXLZNDTOKKKMM-WXZYKRPKSA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFUotTMmOfy
Name 2-(1-Adamantyl)-1-isoindolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.162314299 u
Formula C18H21NO
InChI InChI=1S/C18H21NO/c20-17-16-4-2-1-3-15(16)11-19(17)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2/t12-,13+,14-,18-
InChIKey FWXLZNDTOKKKMM-WXZYKRPKSA-N
Molecular Weight 267.372 g/mol
SMILES C1=CC=2CN(C(C2C=C1)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]