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(4Z)-1,3,4,5-Tetrahydro-4-(3,3,3-trifluoro-2-oxopropylidene)-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID EZu68EtMDSE
InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)10(18)5-7-6-11(19)17-9-4-2-1-3-8(9)16-7/h1-5,16H,6H2,(H,17,19)/b7-5-
InChIKey SRLVDXCXTCBZOL-ALCCZGGFSA-N
Mol Weight 270.21 g/mol
Molecular Formula C12H9F3N2O2
Exact Mass 270.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6ZrPYFX2OV
Name (4Z)-1,3,4,5-Tetrahydro-4-(3,3,3-trifluoro-2-oxopropylidene)-2H-1,5-benzodiazepin-2-one
Alternate Name(s) (Z)-4-(3,3,3-trifluoro-2-oxopropylidene)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N2O2
InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)10(18)5-7-6-11(19)17-9-4-2-1-3-8(9)16-7/h1-5,16H,6H2,(H,17,19)/b7-5-
InChIKey SRLVDXCXTCBZOL-ALCCZGGFSA-N
Literature Reference DOI 10.1002/hlca.201500264
Molecular Weight 270.211 g/mol
SMILES N1\C(CC(Nc2c1cccc2)=O)=C/C(C(F)(F)F)=O
SPLASH splash10-0kmi-0490000000-bced4ca0e2ea286a55bf
Source of Spectrum H-99-366-3a
Wiley ID 1800083