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1-(3-Bromo-1-azulenyl)-2,2,2-trifluoroethanone
SpectraBase Compound ID 4Jtqsx3cLee
InChI InChI=1S/C12H6BrF3O/c13-10-6-9(11(17)12(14,15)16)7-4-2-1-3-5-8(7)10/h1-6H
InChIKey FLJKOBYGQRTJNH-UHFFFAOYSA-N
Mol Weight 303.08 g/mol
Molecular Formula C12H6BrF3O
Exact Mass 301.955412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Tr3bgxbRxo
Name 1-(3-Bromo-1-azulenyl)-2,2,2-trifluoroethanone
CAS Registry Number 42081-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6BrF3O
InChI InChI=1S/C12H6BrF3O/c13-10-6-9(11(17)12(14,15)16)7-4-2-1-3-5-8(7)10/h1-6H
InChIKey FLJKOBYGQRTJNH-UHFFFAOYSA-N
Molecular Weight 303.078 g/mol
SMILES c1cccc2c(c1)c(cc2C(=O)C(F)(F)F)Br
SPLASH splash10-01t9-9420000000-b8ff077a0a54c4dd884b
Synonyms 1-(3-bromanylazulen-1-yl)-2,2,2-tris(fluoranyl)ethanone 1-(3-bromoazulen-1-yl)-2,2,2-trifluoro-ethanone 1-Bromo-3-(2,2,2-trifluoroacetyl)azulene
Wiley ID 1469982