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2-hydroxy-5-oxo-4-p-bromophenyl-2-trifluoromethyl-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylic acid ethyl ester
SpectraBase Compound ID JQSV1ZHv6E
InChI InChI=1S/C19H18BrF3O5/c1-2-27-17(25)16-14(10-6-8-11(20)9-7-10)15-12(24)4-3-5-13(15)28-18(16,26)19(21,22)23/h6-9,14,16,26H,2-5H2,1H3
InChIKey CJBDMIIDDYATHW-UHFFFAOYSA-N
Mol Weight 463.25 g/mol
Molecular Formula C19H18BrF3O5
Exact Mass 462.028971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWLK99jzJZX
Name 2-hydroxy-5-oxo-4-p-bromophenyl-2-trifluoromethyl-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylic acid ethyl ester
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18BrF3O5
InChI InChI=1S/C19H18BrF3O5/c1-2-27-17(25)16-14(10-6-8-11(20)9-7-10)15-12(24)4-3-5-13(15)28-18(16,26)19(21,22)23/h6-9,14,16,26H,2-5H2,1H3
InChIKey CJBDMIIDDYATHW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 463.247 g/mol
SMILES OC1(C(C(C=2C(CCCC2O1)=O)c1ccc(cc1)Br)C(=O)OCC)C(F)(F)F
SPLASH splash10-0002-0900000000-9ffedf33834e31bcb122
Source of Spectrum CN103992301A
Wiley ID 1849727