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7,8-Dichloro-1,2-dihydro-3-phenylpyrrolo[1,2-b]-1,2,4,5-tetrazin-6(8aH)-one
SpectraBase Compound ID GgOLhC1dPxL
InChI InChI=1S/C11H8Cl2N4O/c12-7-8(13)11(18)17-10(7)15-14-9(16-17)6-4-2-1-3-5-6/h1-5,10,15H,(H,14,16)
InChIKey OMPOXAKUVJTUEI-UHFFFAOYSA-N
Mol Weight 283.12 g/mol
Molecular Formula C11H8Cl2N4O
Exact Mass 282.007516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7qi870nk4X
Name 7,8-Dichloro-1,2-dihydro-3-phenylpyrrolo[1,2-b]-1,2,4,5-tetrazin-6(8aH)-one
Alternate Name(s) 7,8-dichloro-3-phenyl-1,8a-dihydropyrrolo[1,2-b][1,2,4,5]tetraazin-6(2H)-one
CAS Registry Number 137257-36-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8Cl2N4O
InChI InChI=1S/C11H8Cl2N4O/c12-7-8(13)11(18)17-10(7)15-14-9(16-17)6-4-2-1-3-5-6/h1-5,10,15H,(H,14,16)
InChIKey OMPOXAKUVJTUEI-UHFFFAOYSA-N
Molecular Weight 283.118 g/mol
SMILES N1NC(=NN2C1C(=C(C2=O)Cl)Cl)c1ccccc1
SPLASH splash10-0f89-0690000000-407c04a8273f4050a378
Source of Spectrum U-1992-124-27
Wiley ID 763772