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1-Methylbutyl 2,6-difluorobenzoate
SpectraBase Compound ID EN0I6EGrRtX
InChI InChI=1S/C12H14F2O2/c1-3-5-8(2)16-12(15)11-9(13)6-4-7-10(11)14/h4,6-8H,3,5H2,1-2H3
InChIKey BWMKYXUMWAMRLD-UHFFFAOYSA-N
Mol Weight 228.24 g/mol
Molecular Formula C12H14F2O2
Exact Mass 228.096186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtbdtQdZiwL
Name 1-Methylbutyl 2,6-difluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F2O2
InChI InChI=1S/C12H14F2O2/c1-3-5-8(2)16-12(15)11-9(13)6-4-7-10(11)14/h4,6-8H,3,5H2,1-2H3
InChIKey BWMKYXUMWAMRLD-UHFFFAOYSA-N
Molecular Weight 228.239 g/mol
SMILES C(OC(c1c(cccc1F)F)=O)(C)CCC
SPLASH splash10-0006-9700000000-d75c757e35bad160f973
Source of Spectrum NP-5-7963-0
Synonyms 2,6-Difluorobenzoic acid, 2-pentyl ester 2,6-Difluorobenzoic acid pentan-2-yl ester Pentan-2-yl 2,6-difluorobenzoate Pentan-2-yl 2,6-bis(fluoranyl)benzoate
Wiley ID 1105145