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1-Isobutyl-2-pentynyl 2,3,4-trifluorobenzoate
SpectraBase Compound ID KpNd1FaHrnW
InChI InChI=1S/C16H17F3O2/c1-4-5-6-11(9-10(2)3)21-16(20)12-7-8-13(17)15(19)14(12)18/h7-8,10-11H,4,9H2,1-3H3
InChIKey YMDLHXAODPRPKL-UHFFFAOYSA-N
Mol Weight 298.31 g/mol
Molecular Formula C16H17F3O2
Exact Mass 298.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12dr3414weK
Name 1-Isobutyl-2-pentynyl 2,3,4-trifluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O2
InChI InChI=1S/C16H17F3O2/c1-4-5-6-11(9-10(2)3)21-16(20)12-7-8-13(17)15(19)14(12)18/h7-8,10-11H,4,9H2,1-3H3
InChIKey YMDLHXAODPRPKL-UHFFFAOYSA-N
Molecular Weight 298.305 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)c1c(F)c(c(cc1)F)F
SPLASH splash10-0a4i-6910000000-610a8b096b98352a5c5b
Source of Spectrum NP-9-9723-0
Synonyms 2,3,4-Trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester 2,3,4-trifluorobenzoic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 2,3,4-trifluorobenzoate 1-isobutylpent-2-ynyl 2,3,4-trifluorobenzoate 2-Methyloct-5-yn-4-yl 2,3,4-tris(fluoranyl)benzoate
Wiley ID 1108506