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Adamantane-1-carboxamide, N-(2-benzoyl-4-chlorophenyl)-

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Adamantane-1-carboxamide, N-(2-benzoyl-4-chlorophenyl)-
SpectraBase Compound ID El19aqUbJez
InChI InChI=1S/C24H24ClNO2/c25-19-6-7-21(20(11-19)22(27)18-4-2-1-3-5-18)26-23(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)/t15-,16+,17-,24-
InChIKey ICTMOAIZFYWUGD-ONHXBKDTSA-N
Mol Weight 393.91 g/mol
Molecular Formula C24H24ClNO2
Exact Mass 393.149557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEVXBG3mGhl
Name Adamantane-1-carboxamide, N-(2-benzoyl-4-chlorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.149556715 u
Formula C24H24ClNO2
InChI InChI=1S/C24H24ClNO2/c25-19-6-7-21(20(11-19)22(27)18-4-2-1-3-5-18)26-23(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)/t15-,16+,17-,24-
InChIKey ICTMOAIZFYWUGD-ONHXBKDTSA-N
Molecular Weight 393.914 g/mol
SMILES C12(C(NC3=C(C(=O)C4=CC=CC=C4)C=C(Cl)C=C3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]