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N-(1-adamantyl)-2-[(4-chlorophenoxy)acetyl]hydrazinecarboxamide
SpectraBase Compound ID 4m4JuV955AR
InChI InChI=1S/C19H24ClN3O3/c20-15-1-3-16(4-2-15)26-11-17(24)22-23-18(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,22,24)(H2,21,23,25)/t12-,13+,14-,19-
InChIKey WSQVXKDLAADWER-KRFSREQESA-N
Mol Weight 377.87 g/mol
Molecular Formula C19H24ClN3O3
Exact Mass 377.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOCQ6yUzwXi
Name N-(1-Adamantyl)-2-[(4-chlorophenoxy)acetyl]hydrazinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 377.150619342 u
Formula C19H24ClN3O3
InChI InChI=1S/C19H24ClN3O3/c20-15-1-3-16(4-2-15)26-11-17(24)22-23-18(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,22,24)(H2,21,23,25)/t12-,13+,14-,19-
InChIKey WSQVXKDLAADWER-KRFSREQESA-N
Molecular Weight 377.872 g/mol
SMILES N(C(=O)NNC(=O)COC=1C=CC(=CC1)Cl)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]