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1,4-Dimethyl-7-nitro-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID 4OUqfFDZZkn
InChI InChI=1S/C13H12F3N3O4/c1-7-5-11(20)17(2)9-4-3-8(19(22)23)6-10(9)18(7)12(21)13(14,15)16/h3-4,6-7H,5H2,1-2H3
InChIKey LUXRLWXABYHXMX-UHFFFAOYSA-N
Mol Weight 331.25 g/mol
Molecular Formula C13H12F3N3O4
Exact Mass 331.07799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdYodTguJKu
Name 1,4-Dimethyl-7-nitro-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3N3O4
InChI InChI=1S/C13H12F3N3O4/c1-7-5-11(20)17(2)9-4-3-8(19(22)23)6-10(9)18(7)12(21)13(14,15)16/h3-4,6-7H,5H2,1-2H3
InChIKey LUXRLWXABYHXMX-UHFFFAOYSA-N
Molecular Weight 331.251 g/mol
SMILES c12N(C(CC(N(c2ccc(N(=O)=O)c1)C)=O)C)C(C(F)(F)F)=O
SPLASH splash10-0229-0290000000-236f98c40951e9daee22
Source of Spectrum U-1995-1866-3
Synonyms 1Dimethyl-7-nitro-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Wiley ID 820158