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t-Butyl (5R,7R)-6,7-dihydro-5,7-dimethyl-5H-dibenz[c,e]azepine-6-carboxylate
SpectraBase Compound ID LQOZghQIJ2e
InChI InChI=1S/C21H25NO2/c1-14-16-10-6-8-12-18(16)19-13-9-7-11-17(19)15(2)22(14)20(23)24-21(3,4)5/h6-15H,1-5H3/t14-,15-/m1/s1
InChIKey PDBDQAGGZPBFQN-HUUCEWRRSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BT0wDSh4HE6
Name t-Butyl (5R,7R)-6,7-dihydro-5,7-dimethyl-5H-dibenz[c,e]azepine-6-carboxylate
Alternate Name(s) (5R,7R)-tert-butyl 5,7-dimethyl-5H-dibenzo[c,e]azepine-6(7H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-14-16-10-6-8-12-18(16)19-13-9-7-11-17(19)15(2)22(14)20(23)24-21(3,4)5/h6-15H,1-5H3/t14-,15-/m1/s1
InChIKey PDBDQAGGZPBFQN-HUUCEWRRSA-N
Literature Reference DOI 10.1021/ol900333c
Molecular Weight 323.436 g/mol
SMILES c1cccc2[C@](N([C@@](c3ccccc3-c12)(C)[H])C(OC(C)(C)C)=O)(C)[H]
SPLASH splash10-0a4i-1092000000-59b8854255f580377068
Source of Spectrum A1-11-1663/SMS7-(+)_19
Wiley ID 1756691