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(3,6-dibromo-5-(cyclohex-2-en-1-yl)pyridazin-4-yl)(phenyl)methanone
SpectraBase Compound ID ChOH5aA8Isp
InChI InChI=1S/C17H14Br2N2O/c18-16-13(11-7-3-1-4-8-11)14(17(19)21-20-16)15(22)12-9-5-2-6-10-12/h2-3,5-7,9-11H,1,4,8H2
InChIKey TZGOEVSKZGUHFB-UHFFFAOYSA-N
Mol Weight 422.12 g/mol
Molecular Formula C17H14Br2N2O
Exact Mass 419.947289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tnB1Xa5sw3
Name (3,6-dibromo-5-(cyclohex-2-en-1-yl)pyridazin-4-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Br2N2O
InChI InChI=1S/C17H14Br2N2O/c18-16-13(11-7-3-1-4-8-11)14(17(19)21-20-16)15(22)12-9-5-2-6-10-12/h2-3,5-7,9-11H,1,4,8H2
InChIKey TZGOEVSKZGUHFB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400248e
Molecular Weight 422.120 g/mol
SMILES c1(c(C2C=CCCC2)c(nnc1Br)Br)C(c1ccccc1)=O
SPLASH splash10-0a4i-9200000000-23d7ed47820330104bd6
Source of Spectrum A1-15-1128/SM16-8a
Wiley ID 1748469