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7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
SpectraBase Compound ID 3wpRaqrzpyg
InChI InChI=1S/C9H8N4O5/c14-9-6-3-5(12(15)16)4-7(13(17)18)8(6)10-1-2-11-9/h3-4,10H,1-2H2,(H,11,14)
InChIKey DURANIMFVQVBFK-UHFFFAOYSA-N
Mol Weight 252.19 g/mol
Molecular Formula C9H8N4O5
Exact Mass 252.049469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4cjLvJxJJY
Name 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Alternate Name(s) 7,9-Dinitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one 7,9-Dinitro-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
CAS Registry Number 115846-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O5
InChI InChI=1S/C9H8N4O5/c14-9-6-3-5(12(15)16)4-7(13(17)18)8(6)10-1-2-11-9/h3-4,10H,1-2H2,(H,11,14)
InChIKey DURANIMFVQVBFK-UHFFFAOYSA-N
Molecular Weight 252.186 g/mol
SMILES N1CCNc2c(C1=O)cc(N(=O)=O)cc2N(=O)=O
SPLASH splash10-0fk9-6970000000-384068221d006d427d95
Wiley ID 1439047