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Adamantan-1-yl(4-chlorophenyl)methanone
SpectraBase Compound ID 3y0cci9O4vc
InChI InChI=1S/C17H19ClO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey QXVTWPDSJUEKLJ-FBBPANFNSA-N
Mol Weight 274.79 g/mol
Molecular Formula C17H19ClO
Exact Mass 274.112443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXTDjJOsjLt
Name Adamantan-1-yl(4-chlorophenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.112442931 u
Formula C17H19ClO
InChI InChI=1S/C17H19ClO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey QXVTWPDSJUEKLJ-FBBPANFNSA-N
Molecular Weight 274.791 g/mol
SMILES C1[C@]2(C[C@@]3(CC(C(C4=CC=C(C=C4)Cl)=O)(C2)C[C@]1(C3)[H])[H])[H]