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Hexahydro-2-[nitro(4-bromobenzoyl)methylene]pyrimidine
SpectraBase Compound ID EK8gpun14k7
InChI InChI=1S/C12H12BrN3O3/c13-9-4-2-8(3-5-9)11(17)10(16(18)19)12-14-6-1-7-15-12/h2-5,14-15H,1,6-7H2
InChIKey IBRBLPOTTKAJMJ-UHFFFAOYSA-N
Mol Weight 326.15 g/mol
Molecular Formula C12H12BrN3O3
Exact Mass 325.006204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W7QzosoNGI
Name Hexahydro-2-[nitro(4-bromobenzoyl)methylene]pyrimidine
Alternate Name(s) 1-(4-bromophenyl)-2-nitro-2-tetrahydro-2(1H)-pyrimidinylideneethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12BrN3O3
InChI InChI=1S/C12H12BrN3O3/c13-9-4-2-8(3-5-9)11(17)10(16(18)19)12-14-6-1-7-15-12/h2-5,14-15H,1,6-7H2
InChIKey IBRBLPOTTKAJMJ-UHFFFAOYSA-N
Molecular Weight 326.150 g/mol
SMILES N1CCCNC1=C(N(=O)=O)C(c1ccc(cc1)Br)=O
SPLASH splash10-004i-0900000000-df4097da373d8d62dbde
Source of Spectrum SO-0-233-7
Wiley ID 876233