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2-Propenoic acid, 7-bromo-5-chloro-8-quinolinyl ester
SpectraBase Compound ID JvDQT8pyNho
InChI InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2
InChIKey YDNLKBDXQCHOTH-UHFFFAOYSA-N
Mol Weight 312.55 g/mol
Molecular Formula C12H7BrClNO2
Exact Mass 310.934869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yqB0CL4tCQ
Name HALACRINATE
CAS Registry Number 34462-96-9
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 310.934869167 u
Formula C12H7BrClNO2
InChI InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2
InChIKey YDNLKBDXQCHOTH-UHFFFAOYSA-N
Molecular Weight 312.550 g/mol
Nominal Mass 311 u
Number of Peaks 105
SMILES c1c(c2c(nccc2)c(OC(=O)C=C)c1Br)Cl
SPLASH splash10-0a4i-5190000000-62e47ccc95d2aec4e3e3
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 7-bromo-5-chloro-8-quinolinyl acrylate 7-bromo-5-chloro-8-quinolinyl 2-propenoate
Technique GC/MS
Wiley ID WID_MSPA_4053