Debug Info

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9VRqTUBgSf9
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9VRqTUBgSf9
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3-(Trifluoromethyl)benzyl 5-methoxypentanoate
SpectraBase Compound ID 6z1NhA0DqxS
InChI InChI=1S/C14H17F3O3/c1-19-8-3-2-7-13(18)20-10-11-5-4-6-12(9-11)14(15,16)17/h4-6,9H,2-3,7-8,10H2,1H3
InChIKey KONYTYNUIKEPPI-UHFFFAOYSA-N
Mol Weight 290.28 g/mol
Molecular Formula C14H17F3O3
Exact Mass 290.112979 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VRqTUBgSf9
Name 3-(Trifluoromethyl)benzyl 5-methoxypentanoate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.112978893 u
Formula C14H17F3O3
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H17F3O3/c1-19-8-3-2-7-13(18)20-10-11-5-4-6-12(9-11)14(15,16)17/h4-6,9H,2-3,7-8,10H2,1H3
InChIKey KONYTYNUIKEPPI-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 290.282 g/mol
Quality 331
Reported Formula C14H17F3O3
SMILES C(C=1C=C(C=CC1)COC(CCCCOC)=O)(F)(F)F
SPLASH splash10-0592-9810000000-510610977e32465ed8f5
Source of Spectrum ACI-61-SM38-42 (DOI: 10.1002/anie.202211939)
Wiley ID 1899557
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