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8-CHLORO-5-CYClOPROPYLMETHYL-1,9B-DIHYDRO-9B-PHENYL-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
SpectraBase Compound ID 4ZB0Fd0IuGc
InChI InChI=1S/C20H17Cl3N2O/c21-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)20(22,23)25(19)12-18(26)24(17)11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2/t19-,25?/m0/s1
InChIKey GDBRNGAUUMNIRB-UBDBMELISA-N
Mol Weight 407.73 g/mol
Molecular Formula C20H17Cl3N2O
Exact Mass 406.040646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FSkqOeMILB
Name 8-CHLORO-5-CYClOPROPYLMETHYL-1,9B-DIHYDRO-9B-PHENYL-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17Cl3N2O
InChI InChI=1S/C20H17Cl3N2O/c21-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)20(22,23)25(19)12-18(26)24(17)11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2/t19-,25?/m0/s1
InChIKey GDBRNGAUUMNIRB-UBDBMELISA-N
Literature Reference Author A.CHIMIRRI,S.GRASSO,A.M.MONFORTE,G.ROMEO,M.ZAPPALA
Literature Reference Citation HETEROCYCLES,36,691(1993)
Literature Reference DOI 10.3987/COM-92-6143
Molecular Weight 407.727 g/mol
Solvent CDCl3
Source File Reference UWCP7820