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{2-[7-CHLORO-1,3-DIHYDRO-5-(o-FLUOROPHENYL)-2-OXO-2H-1,4-BENZODIAZEPIN-1-YL]ETHYL}CARBAMIC ACID, BENZYL ESTER
SpectraBase Compound ID T6LUYj256e
InChI InChI=1S/C25H21ClFN3O3/c26-18-10-11-22-20(14-18)24(19-8-4-5-9-21(19)27)29-15-23(31)30(22)13-12-28-25(32)33-16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,28,32)
InChIKey ODWMYJHSPNKHNQ-UHFFFAOYSA-N
Mol Weight 465.91 g/mol
Molecular Formula C25H21ClFN3O3
Exact Mass 465.125547 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID B8EYnVtkcCM
Name {2-[7-CHLORO-1,3-DIHYDRO-5-(o-FLUOROPHENYL)-2-OXO-2H-1,4-BENZODIAZEPIN-1-YL]ETHYL}CARBAMIC ACID, BENZYL ESTER
Source of Sample R. I. Fryer, Hoffmann-La Roche, Inc., Nutley, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClFN3O3
InChI InChI=1S/C25H21ClFN3O3/c26-18-10-11-22-20(14-18)24(19-8-4-5-9-21(19)27)29-15-23(31)30(22)13-12-28-25(32)33-16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,28,32)
InChIKey ODWMYJHSPNKHNQ-UHFFFAOYSA-N
Literature Reference JMCH 11, 774(1968)
Melting Point 142-145C
Molecular Weight 465.911011
Synonyms CARBAMIC ACID, //7-CHLORO-1,3-DI- HYDRO-5-/O-FLUOROPHENYL/-2-OXO-2H-1,4- BENZODIAZEPIN-1-YL/ETHYL/-, BENZYL ESTER BENZODIAZEPIN-2-ONE, 2H-1,4-, 1- //2-/BENZYLOXY/CARBAMOYL/ETHYL/-7- CHLORO-1,3-DIHYDRO-5-/O-FLUOROPHENYL/-,
Technique KBr WAFER