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4-Methyl-7-nitro-5-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

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4-Methyl-7-nitro-5-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID HXYIuKOQ2yg
InChI InChI=1S/C12H12F3N3O3/c1-7-4-11(19)16-9-3-2-8(18(20)21)5-10(9)17(7)6-12(13,14)15/h2-3,5,7H,4,6H2,1H3,(H,16,19)
InChIKey PMFBHLWFEFXFMM-UHFFFAOYSA-N
Mol Weight 303.24 g/mol
Molecular Formula C12H12F3N3O3
Exact Mass 303.083076 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hni8kB8I7j6
Name 2H-1,5-benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-7-nitro-5-(2,2,2-trifluoroethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.083075744 u
Formula C12H12F3N3O3
InChI InChI=1S/C12H12F3N3O3/c1-7-4-11(19)16-9-3-2-8(18(20)21)5-10(9)17(7)6-12(13,14)15/h2-3,5,7H,4,6H2,1H3,(H,16,19)
InChIKey PMFBHLWFEFXFMM-UHFFFAOYSA-N
Molecular Weight 303.241 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2559
Solvent DMSO-d6
Source Vendor ID: NMR/9216676; Lab Info: POU; Lab Number: POU-0000009