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Methyl 5-(but-2-enyl)-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
SpectraBase Compound ID 3jkKRRpP8zI
InChI InChI=1S/C21H21F3O3/c1-5-6-10-16-12(2)17(13(3)18(19(16)25)20(26)27-4)14-8-7-9-15(11-14)21(22,23)24/h5-9,11,25H,10H2,1-4H3/b6-5+
InChIKey XUUJZDAEIBBEEX-AATRIKPKSA-N
Mol Weight 378.39 g/mol
Molecular Formula C21H21F3O3
Exact Mass 378.144279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq4QyHazTMB
Name Methyl 5-(but-2-enyl)-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3O3
InChI InChI=1S/C21H21F3O3/c1-5-6-10-16-12(2)17(13(3)18(19(16)25)20(26)27-4)14-8-7-9-15(11-14)21(22,23)24/h5-9,11,25H,10H2,1-4H3/b6-5+
InChIKey XUUJZDAEIBBEEX-AATRIKPKSA-N
Molecular Weight 378.391 g/mol
SMILES Oc1c(c(c(c(C)c1C\C=C\C)-c1cc(C(F)(F)F)ccc1)C)C(=O)OC
SPLASH splash10-0a4i-0009000000-6ef5f2f2b47bf92a2edd
Source of Spectrum F-66-3834-6an
Wiley ID 1687579