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4-(Trifluoromethoxy)benzyl 5-methoxypentanoate
SpectraBase Compound ID JeYw1XPqtJk
InChI InChI=1S/C14H17F3O4/c1-19-9-3-2-4-13(18)20-10-11-5-7-12(8-6-11)21-14(15,16)17/h5-8H,2-4,9-10H2,1H3
InChIKey NJPUEJROKGNXTK-UHFFFAOYSA-N
Mol Weight 306.28 g/mol
Molecular Formula C14H17F3O4
Exact Mass 306.107894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OT5R8Q1J1q
Name 4-(Trifluoromethoxy)benzyl 5-methoxypentanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 306.107893512 u
Formula C14H17F3O4
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H17F3O4/c1-19-9-3-2-4-13(18)20-10-11-5-7-12(8-6-11)21-14(15,16)17/h5-8H,2-4,9-10H2,1H3
InChIKey NJPUEJROKGNXTK-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 306.281 g/mol
Quality 253
Reported Formula C14H17F3O4
SMILES C(OC1=CC=C(C=C1)COC(CCCCOC)=O)(F)(F)F
SPLASH splash10-00ba-6900000000-00ad5105998ea5c0ba95
Source of Spectrum ACI-61-SM40-48 (DOI: 10.1002/anie.202211939)
Wiley ID 1899562