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1-Isobutyl-2-pentynyl 2,6-difluorobenzoate
SpectraBase Compound ID JvdYYPFvueg
InChI InChI=1S/C16H18F2O2/c1-4-5-7-12(10-11(2)3)20-16(19)15-13(17)8-6-9-14(15)18/h6,8-9,11-12H,4,10H2,1-3H3
InChIKey XMSIREIWTIXZDM-UHFFFAOYSA-N
Mol Weight 280.31 g/mol
Molecular Formula C16H18F2O2
Exact Mass 280.127486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WhK417mBnR
Name 1-Isobutyl-2-pentynyl 2,6-difluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F2O2
InChI InChI=1S/C16H18F2O2/c1-4-5-7-12(10-11(2)3)20-16(19)15-13(17)8-6-9-14(15)18/h6,8-9,11-12H,4,10H2,1-3H3
InChIKey XMSIREIWTIXZDM-UHFFFAOYSA-N
Molecular Weight 280.315 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)c1c(F)cccc1F
SPLASH splash10-0006-5900000000-9f9c39c4b4b2d0a70d64
Source of Spectrum NP-8-9074-0
Synonyms 2,6-Difluorobenzoic acid, 2-methyloct-5-yn-4-yl ester 2,6-Difluorobenzoic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 2,6-difluorobenzoate 1-isobutylpent-2-ynyl 2,6-difluorobenzoate 2-Methyloct-5-yn-4-yl 2,6-bis(fluoranyl)benzoate
Wiley ID 1107708