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

*Links on SpectraBase are not permalinks.
5-bromo-3-sec-butyl-6-methyluracil
SpectraBase Compound ID CUy2PXIiJ7n
InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
InChIKey CTSLUCNDVMMDHG-UHFFFAOYSA-N
Mol Weight 261.12 g/mol
Molecular Formula C9H13BrN2O2
Exact Mass 260.016041 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 Cf8e4oW9ESz
Name Bromacil
Source of Sample Sigma-Aldrich Cat. #45350
CAS Registry Number 314-40-9
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 260.016040665 u
Formula C9H13BrN2O2
InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
InChIKey CTSLUCNDVMMDHG-UHFFFAOYSA-N
Molecular Weight 261.119 g/mol
Number of Peaks 48
RI1 1952
SMILES N1C(=C(C(N(C1=O)C(CC)C)=O)Br)C
SPLASH splash10-0a4i-5390000000-15f6f0040bacd0949495
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-
Wiley ID LM_PEST_622