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3,4-Dipropyl-6-(trifluoromethyl)-2H-chromen-2-one
SpectraBase Compound ID 8LTE77VCvER
InChI InChI=1S/C16H17F3O2/c1-3-5-11-12(6-4-2)15(20)21-14-8-7-10(9-13(11)14)16(17,18)19/h7-9H,3-6H2,1-2H3
InChIKey WWJBSAQMXMWSOT-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 9ZWdsYjtA
Name 3,4-Dipropyl-6-(trifluoromethyl)-2H-chromen-2-one
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.118064274 u
Formula C16H17F3O2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C16H17F3O2/c1-3-5-11-12(6-4-2)15(20)21-14-8-7-10(9-13(11)14)16(17,18)19/h7-9H,3-6H2,1-2H3
InChIKey WWJBSAQMXMWSOT-UHFFFAOYSA-N
Instrument Name Agilent HP-5890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608715
Molecular Weight 298.305 g/mol
Quality 172
Reported Formula C16H17F3O2
SMILES C(CC)C1=C(C(OC2=C1C=C(C=C2)C(F)(F)F)=O)CCC
SPLASH splash10-0apj-0190000000-b327322d8b59dc77ff81
Source of Spectrum ACI-55-SM14-3nh (DOI: 10.1002/anie.201608715)
Wiley ID 1901057