For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Hexahydro-2-[nitro(4-chlorobenzoyl)methylene]pyrimidine
SpectraBase Compound ID CIRmXyZatDQ
InChI InChI=1S/C12H12ClN3O3/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 YAJAHKBIZRXLDF-UHFFFAOYSA-N
Mol Weight 281.7 g/mol
Molecular Formula C12H12ClN3O3
Exact Mass 281.056719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JyBbUQvB0ZV
Name Hexahydro-2-[nitro(4-chlorobenzoyl)methylene]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O3
InChI InChI=1S/C12H12ClN3O3/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 YAJAHKBIZRXLDF-UHFFFAOYSA-N
Molecular Weight 281.699 g/mol
SMILES N1CCCNC1=C(N(=O)=O)C(c1ccc(cc1)Cl)=O
SPLASH splash10-004i-0900000000-45c7c64fcb0c1ce413ad
Source of Spectrum SO-0-233-7
Synonyms 1-(4-Chlorophenyl)-2-nitro-2-tetrahydro-2(1H)-pyrimidinylideneethanone
Wiley ID 876234