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Adamantane-1-carboxylic acid [4-(2-chloro-benzoylamino)-phenyl]-amide

View entire compound with spectra: 2 NMR

Adamantane-1-carboxylic acid [4-(2-chloro-benzoylamino)-phenyl]-amide
SpectraBase Compound ID AO16IUj3Exw
InChI InChI=1S/C24H25ClN2O2/c25-21-4-2-1-3-20(21)22(28)26-18-5-7-19(8-6-18)27-23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,26,28)(H,27,29)/t15-,16+,17-,24-
InChIKey PWZPIDUBNFYVKB-ONHXBKDTSA-N
Mol Weight 408.93 g/mol
Molecular Formula C24H25ClN2O2
Exact Mass 408.160456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbJyc16J9Ge
Name Adamantane-1-carboxylic acid [4-(2-chloro-benzoylamino)-phenyl]-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.160455751 u
Formula C24H25ClN2O2
InChI InChI=1S/C24H25ClN2O2/c25-21-4-2-1-3-20(21)22(28)26-18-5-7-19(8-6-18)27-23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2,(H,26,28)(H,27,29)/t15-,16+,17-,24-
InChIKey PWZPIDUBNFYVKB-ONHXBKDTSA-N
Molecular Weight 408.929 g/mol
SMILES C12(C(NC=3C=CC(NC(C4=C(Cl)C=CC=C4)=O)=CC3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]