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2-Methyl-6-(6-(trifluoromethyl)pyridin-2-yl)benzyl acetate
SpectraBase Compound ID HFn7OTwxYcn
InChI InChI=1S/C16H14F3NO2/c1-10-5-3-6-12(13(10)9-22-11(2)21)14-7-4-8-15(20-14)16(17,18)19/h3-8H,9H2,1-2H3
InChIKey XJUHEPURRSTIQM-UHFFFAOYSA-N
Mol Weight 309.29 g/mol
Molecular Formula C16H14F3NO2
Exact Mass 309.097663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VuTD50I6XM
Name 2-Methyl-6-(6-(trifluoromethyl)pyridin-2-yl)benzyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F3NO2
InChI InChI=1S/C16H14F3NO2/c1-10-5-3-6-12(13(10)9-22-11(2)21)14-7-4-8-15(20-14)16(17,18)19/h3-8H,9H2,1-2H3
InChIKey XJUHEPURRSTIQM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201800216
Molecular Weight 309.288 g/mol
SMILES c1c(c(c(cc1)-c1nc(ccc1)C(F)(F)F)COC(=O)C)C
SPLASH splash10-014j-0290000000-68b0a72918e2b55bba84
Source of Spectrum ASC-360-SM37-3s
Wiley ID 1811954